azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone

C137H152Cl6N30O13 — CID 159176878

IUPACazetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)CC2)c1.Cc1cnn(C(=O)N2CCN(Cc3cncnc3)CC2)c1.O=C(c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)N1CCC1.O=C(c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1)N1CCCCC1
InChIInChI=1S/C27H29Cl2N5O2.C26H27Cl2N5O3.C25H25Cl2N5O2.C23H26N4O.C22H27N5O4.C14H18N6O/c28-23-8-4-20(5-9-23)25(21-6-10-24(29)11-7-21)31-14-16-33(17-15-31)27(36)34-19-22(18-30-34)26(35)32-12-2-1-3-13-32;27-22-5-1-19(2-6-22)24(20-3-7-23(28)8-4-20)30-9-11-32(12-10-30)26(35)33-18-21(17-29-33)25(34)31-13-15-36-16-14-31;26-21-6-2-18(3-7-21)23(19-4-8-22(27)9-5-19)29-12-14-31(15-13-29)25(34)32-17-20(16-28-32)24(33)30-10-1-11-30;1-18-15-24-27(16-18)23(28)26-12-10-25(11-13-26)17-22-9-8-21(14-19(22)2)20-6-4-3-5-7-20;28-21(25-6-2-1-3-7-25)18-13-23-27(15-18)22(29)26-10-8-24(9-11-26)14-17-4-5-19-20(12-17)31-16-30-19;1-12-6-17-20(9-12)14(21)19-4-2-18(3-5-19)10-13-7-15-11-16-8-13/h4-11,18-19,25H,1-3,12-17H2;1-8,17-18,24H,9-16H2;2-9,16-17,23H,1,10-15H2;3-9,14-16H,10-13,17H2,1-2H3;4-5,12-13,15H,1-3,6-11,14,16H2;6-9,11H,2-5,10H2,1H3
InChIKeyKMJVLJMPILAYCJ-UHFFFAOYSA-N
MW2639.64 g/mol
LogP20.38
Rot. Bonds20

About azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone

azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone (PubChem CID 159176878) has the molecular formula C137H152Cl6N30O13 and a molecular weight of 2639.64 g/mol. Its IUPAC name is azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
PubChem CID159176878
Molecular FormulaC137H152Cl6N30O13
Molecular Weight2639.64 g/mol
Exact Mass2635.03
IUPAC Nameazetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)CC2)c1.Cc1cnn(C(=O)N2CCN(Cc3cncnc3)CC2)c1.O=C(c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)N1CCC1.O=C(c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1)N1CCCCC1
InChIInChI=1S/C27H29Cl2N5O2.C26H27Cl2N5O3.C25H25Cl2N5O2.C23H26N4O.C22H27N5O4.C14H18N6O/c28-23-8-4-20(5-9-23)25(21-6-10-24(29)11-7-21)31-14-16-33(17-15-31)27(36)34-19-22(18-30-34)26(35)32-12-2-1-3-13-32;27-22-5-1-19(2-6-22)24(20-3-7-23(28)8-4-20)30-9-11-32(12-10-30)26(35)33-18-21(17-29-33)25(34)31-13-15-36-16-14-31;26-21-6-2-18(3-7-21)23(19-4-8-22(27)9-5-19)29-12-14-31(15-13-29)25(34)32-17-20(16-28-32)24(33)30-10-1-11-30;1-18-15-24-27(16-18)23(28)26-12-10-25(11-13-26)17-22-9-8-21(14-19(22)2)20-6-4-3-5-7-20;28-21(25-6-2-1-3-7-25)18-13-23-27(15-18)22(29)26-10-8-24(9-11-26)14-17-4-5-19-20(12-17)31-16-30-19;1-12-6-17-20(9-12)14(21)19-4-2-18(3-5-19)10-13-7-15-11-16-8-13/h4-11,18-19,25H,1-3,12-17H2;1-8,17-18,24H,9-16H2;2-9,16-17,23H,1,10-15H2;3-9,14-16H,10-13,17H2,1-2H3;4-5,12-13,15H,1-3,6-11,14,16H2;6-9,11H,2-5,10H2,1H3
InChIKeyKMJVLJMPILAYCJ-UHFFFAOYSA-N
XLogP20.38
TPSA382.93 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002639.64
LogP ≤ 520.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 158250513

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone (CID 159176878) is azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone is Cc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)CC2)c1.Cc1cnn(C(=O)N2CCN(Cc3cncnc3)CC2)c1.O=C(c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)N1CCC1.O=C(c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1)N1CCOCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1)N1CCCCC1.
What is the InChIKey of azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is KMJVLJMPILAYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2N5O2.C26H27Cl2N5O3.C25H25Cl2N5O2.C23H26N4O.C22H27N5O4.C14H18N6O/c28-23-8-4-20(5-9-23)25(21-6-10-24(29)11-7-21)31-14-16-33(17-15-31)27(36)34-19-22(18-30-34)26(35)32-12-2-1-3-13-32;27-22-5-1-19(2-6-22)24(20-3-7-23(28)8-4-20)30-9-11-32(12-10-30)26(35)33-18-21(17-29-33)25(34)31-13-15-36-16-14-31;26-21-6-2-18(3-7-21)23(19-4-8-22(27)9-5-19)29-12-14-31(15-13-29)25(34)32-17-20(16-28-32)24(33)30-10-1-11-30;1-18-15-24-27(16-18)23(28)26-12-10-25(11-13-26)17-22-9-8-21(14-19(22)2)20-6-4-3-5-7-20;28-21(25-6-2-1-3-7-25)18-13-23-27(15-18)22(29)26-10-8-24(9-11-26)14-17-4-5-19-20(12-17)31-16-30-19;1-12-6-17-20(9-12)14(21)19-4-2-18(3-5-19)10-13-7-15-11-16-8-13/h4-11,18-19,25H,1-3,12-17H2;1-8,17-18,24H,9-16H2;2-9,16-17,23H,1,10-15H2;3-9,14-16H,10-13,17H2,1-2H3;4-5,12-13,15H,1-3,6-11,14,16H2;6-9,11H,2-5,10H2,1H3.
What are the key properties of azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone?
azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 2639.64 g/mol, XLogP of 20.38, 20 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanone;[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 159176878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).