N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea

C197H229Cl3N44O13S — CID 159606392

IUPACN-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea
SMILESCCN(CC)CCn1cc(CC(=O)c2cccc(-n3cc(CC(=O)NC4CCCC4)cn3)c2)cn1.CCN(CC)CCn1cc(CC(=O)c2cccc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)c2)cn1.CCN(CC)CCn1cc(CC(=O)c2cccc(-n3cc(CC(=S)Nc4ccccc4Cl)cn3)c2)cn1.Cc1cccc(NC(=O)Cc2cnn(-c3cccc(C(=O)Cc4cn(CCN5CCCCC5)nc4C)c3)c2)c1.Cc1ccccc1NC(=O)Nc1cnn(-c2cccc(C(=O)Cc3cnn(CC4CCNCC4)c3)c2)c1.Cc1nn(CCN2CCCC2)cc1CC(=O)c1cccc(-n2cc(CC(=O)NC3CCCC3)cn2)c1.O=C(Nc1cnn(-c2cccc(C(=O)Cc3cnn(CC4CCNCC4)c3)c2)c1)Nc1ccccc1Cl
InChIInChI=1S/C31H36N6O2.C28H31ClN6O2.C28H31ClN6OS.C28H31N7O2.C28H36N6O2.C27H28ClN7O2.C27H36N6O2/c1-23-8-6-10-28(16-23)33-31(39)17-25-20-32-37(21-25)29-11-7-9-26(18-29)30(38)19-27-22-36(34-24(27)2)15-14-35-12-4-3-5-13-35;2*1-3-33(4-2)12-13-34-19-21(17-30-34)14-27(36)23-8-7-9-24(16-23)35-20-22(18-31-35)15-28(37)32-26-11-6-5-10-25(26)29;1-20-5-2-3-8-26(20)33-28(37)32-24-16-31-35(19-24)25-7-4-6-23(14-25)27(36)13-22-15-30-34(18-22)17-21-9-11-29-12-10-21;1-21-24(20-33(31-21)14-13-32-11-4-5-12-32)17-27(35)23-7-6-10-26(16-23)34-19-22(18-29-34)15-28(36)30-25-8-2-3-9-25;28-24-6-1-2-7-25(24)33-27(37)32-22-15-31-35(18-22)23-5-3-4-21(13-23)26(36)12-20-14-30-34(17-20)16-19-8-10-29-11-9-19;1-3-31(4-2)12-13-32-19-21(17-28-32)14-26(34)23-8-7-11-25(16-23)33-20-22(18-29-33)15-27(35)30-24-9-5-6-10-24/h6-11,16,18,20-22H,3-5,12-15,17,19H2,1-2H3,(H,33,39);2*5-11,16-20H,3-4,12-15H2,1-2H3,(H,32,37);2-8,14-16,18-19,21,29H,9-13,17H2,1H3,(H2,32,33,37);6-7,10,16,18-20,25H,2-5,8-9,11-15,17H2,1H3,(H,30,36);1-7,13-15,17-19,29H,8-12,16H2,(H2,32,33,37);7-8,11,16-20,24H,3-6,9-10,12-15H2,1-2H3,(H,30,35)
InChIKeyMMDCONXIGCUFLL-UHFFFAOYSA-N
MW3559.72 g/mol
LogP31.09
Rot. Bonds72

About N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea

N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea (PubChem CID 159606392) has the molecular formula C197H229Cl3N44O13S and a molecular weight of 3559.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea
PubChem CID159606392
Molecular FormulaC197H229Cl3N44O13S
Molecular Weight3559.72 g/mol
Exact Mass3555.74
IUPAC NameN-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea
SMILESCCN(CC)CCn1cc(CC(=O)c2cccc(-n3cc(CC(=O)NC4CCCC4)cn3)c2)cn1.CCN(CC)CCn1cc(CC(=O)c2cccc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)c2)cn1.CCN(CC)CCn1cc(CC(=O)c2cccc(-n3cc(CC(=S)Nc4ccccc4Cl)cn3)c2)cn1.Cc1cccc(NC(=O)Cc2cnn(-c3cccc(C(=O)Cc4cn(CCN5CCCCC5)nc4C)c3)c2)c1.Cc1ccccc1NC(=O)Nc1cnn(-c2cccc(C(=O)Cc3cnn(CC4CCNCC4)c3)c2)c1.Cc1nn(CCN2CCCC2)cc1CC(=O)c1cccc(-n2cc(CC(=O)NC3CCCC3)cn2)c1.O=C(Nc1cnn(-c2cccc(C(=O)Cc3cnn(CC4CCNCC4)c3)c2)c1)Nc1ccccc1Cl
InChIInChI=1S/C31H36N6O2.C28H31ClN6O2.C28H31ClN6OS.C28H31N7O2.C28H36N6O2.C27H28ClN7O2.C27H36N6O2/c1-23-8-6-10-28(16-23)33-31(39)17-25-20-32-37(21-25)29-11-7-9-26(18-29)30(38)19-27-22-36(34-24(27)2)15-14-35-12-4-3-5-13-35;2*1-3-33(4-2)12-13-34-19-21(17-30-34)14-27(36)23-8-7-9-24(16-23)35-20-22(18-31-35)15-28(37)32-26-11-6-5-10-25(26)29;1-20-5-2-3-8-26(20)33-28(37)32-24-16-31-35(19-24)25-7-4-6-23(14-25)27(36)13-22-15-30-34(18-22)17-21-9-11-29-12-10-21;1-21-24(20-33(31-21)14-13-32-11-4-5-12-32)17-27(35)23-7-6-10-26(16-23)34-19-22(18-29-34)15-28(36)30-25-8-2-3-9-25;28-24-6-1-2-7-25(24)33-27(37)32-22-15-31-35(18-22)23-5-3-4-21(13-23)26(36)12-20-14-30-34(17-20)16-19-8-10-29-11-9-19;1-3-31(4-2)12-13-32-19-21(17-28-32)14-26(34)23-8-7-11-25(16-23)33-20-22(18-29-33)15-27(35)30-24-9-5-6-10-24/h6-11,16,18,20-22H,3-5,12-15,17,19H2,1-2H3,(H,33,39);2*5-11,16-20H,3-4,12-15H2,1-2H3,(H,32,37);2-8,14-16,18-19,21,29H,9-13,17H2,1H3,(H2,32,33,37);6-7,10,16,18-20,25H,2-5,8-9,11-15,17H2,1H3,(H,30,36);1-7,13-15,17-19,29H,8-12,16H2,(H2,32,33,37);7-8,11,16-20,24H,3-6,9-10,12-15H2,1-2H3,(H,30,35)
InChIKeyMMDCONXIGCUFLL-UHFFFAOYSA-N
XLogP31.09
TPSA619.92 Ų
H-Bond Donors11
H-Bond Acceptors49
Rotatable Bonds72
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003559.72
LogP ≤ 531.09
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea?
The IUPAC name of N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea (CID 159606392) is N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea.
What is the SMILES notation for N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea?
The canonical SMILES for N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea is CCN(CC)CCn1cc(CC(=O)c2cccc(-n3cc(CC(=O)NC4CCCC4)cn3)c2)cn1.CCN(CC)CCn1cc(CC(=O)c2cccc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)c2)cn1.CCN(CC)CCn1cc(CC(=O)c2cccc(-n3cc(CC(=S)Nc4ccccc4Cl)cn3)c2)cn1.Cc1cccc(NC(=O)Cc2cnn(-c3cccc(C(=O)Cc4cn(CCN5CCCCC5)nc4C)c3)c2)c1.Cc1ccccc1NC(=O)Nc1cnn(-c2cccc(C(=O)Cc3cnn(CC4CCNCC4)c3)c2)c1.Cc1nn(CCN2CCCC2)cc1CC(=O)c1cccc(-n2cc(CC(=O)NC3CCCC3)cn2)c1.O=C(Nc1cnn(-c2cccc(C(=O)Cc3cnn(CC4CCNCC4)c3)c2)c1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea?
The InChIKey is MMDCONXIGCUFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O2.C28H31ClN6O2.C28H31ClN6OS.C28H31N7O2.C28H36N6O2.C27H28ClN7O2.C27H36N6O2/c1-23-8-6-10-28(16-23)33-31(39)17-25-20-32-37(21-25)29-11-7-9-26(18-29)30(38)19-27-22-36(34-24(27)2)15-14-35-12-4-3-5-13-35;2*1-3-33(4-2)12-13-34-19-21(17-30-34)14-27(36)23-8-7-9-24(16-23)35-20-22(18-31-35)15-28(37)32-26-11-6-5-10-25(26)29;1-20-5-2-3-8-26(20)33-28(37)32-24-16-31-35(19-24)25-7-4-6-23(14-25)27(36)13-22-15-30-34(18-22)17-21-9-11-29-12-10-21;1-21-24(20-33(31-21)14-13-32-11-4-5-12-32)17-27(35)23-7-6-10-26(16-23)34-19-22(18-29-34)15-28(36)30-25-8-2-3-9-25;28-24-6-1-2-7-25(24)33-27(37)32-22-15-31-35(18-22)23-5-3-4-21(13-23)26(36)12-20-14-30-34(17-20)16-19-8-10-29-11-9-19;1-3-31(4-2)12-13-32-19-21(17-28-32)14-26(34)23-8-7-11-25(16-23)33-20-22(18-29-33)15-27(35)30-24-9-5-6-10-24/h6-11,16,18,20-22H,3-5,12-15,17,19H2,1-2H3,(H,33,39);2*5-11,16-20H,3-4,12-15H2,1-2H3,(H,32,37);2-8,14-16,18-19,21,29H,9-13,17H2,1H3,(H2,32,33,37);6-7,10,16,18-20,25H,2-5,8-9,11-15,17H2,1H3,(H,30,36);1-7,13-15,17-19,29H,8-12,16H2,(H2,32,33,37);7-8,11,16-20,24H,3-6,9-10,12-15H2,1-2H3,(H,30,35).
What are the key properties of N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea?
N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea has a molecular weight of 3559.72 g/mol, XLogP of 31.09, 72 rotatable bonds, 11 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(2-chlorophenyl)-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]ethanethioamide;1-(2-chlorophenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea;N-cyclopentyl-2-[1-[3-[2-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-cyclopentyl-2-[1-[3-[2-[3-methyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;N-(3-methylphenyl)-2-[1-[3-[2-[3-methyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]acetamide;1-(2-methylphenyl)-3-[1-[3-[2-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]acetyl]phenyl]pyrazol-4-yl]urea is sourced from PubChem (CID 159606392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).