1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone

C140H174Cl2F3N29O13 — CID 163568213

IUPAC1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C(F)(F)F)cc4)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3N3CCCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC[C@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3[C@H](C)CC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CCN(C4CC4)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)n1
InChIInChI=1S/C26H35N5O2.C24H31ClN6O2.C24H33N5O2.C23H23ClN4O3.C23H31N5O2.C20H21F3N4O2/c1-20-6-7-22(24(18-20)28-12-3-4-13-28)19-30-14-5-9-26(30)10-16-29(17-11-26)25(33)31-15-8-23(27-31)21(2)32;1-18(32)22-6-7-31(26-22)24(33)30-10-8-27(9-11-30)17-19-2-3-20(25)16-23(19)29-14-12-28(13-15-29)21-4-5-21;1-17-5-8-21(23(15-17)29-18(2)6-7-19(29)3)16-26-11-13-27(14-12-26)24(31)28-10-9-22(25-28)20(4)30;1-17(29)22-9-10-28(25-22)23(30)27-13-11-26(12-14-27)16-18-3-2-4-21(15-18)31-20-7-5-19(24)6-8-20;1-17-6-7-20(22(15-17)27-9-4-5-18(27)2)16-25-11-13-26(14-12-25)23(30)28-10-8-21(24-28)19(3)29;1-13(28)18-6-7-27(24-18)19(29)26-11-15-9-25(10-16(15)12-26)8-14-2-4-17(5-3-14)20(21,22)23/h6-8,15,18H,3-5,9-14,16-17,19H2,1-2H3;2-3,6-7,16,21H,4-5,8-15,17H2,1H3;5,8-10,15,18-19H,6-7,11-14,16H2,1-4H3;2-10,15H,11-14,16H2,1H3;6-8,10,15,18H,4-5,9,11-14,16H2,1-3H3;2-7,15-16H,8-12H2,1H3/t;;18-,19+;;18-;/m....1./s1
InChIKeyFXAFDTKPWCGATE-USPGFQRGSA-N
MW2599.02 g/mol
LogP21.08
Rot. Bonds25

About 1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone

1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163568213) has the molecular formula C140H174Cl2F3N29O13 and a molecular weight of 2599.02 g/mol. Its IUPAC name is 1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163568213
Molecular FormulaC140H174Cl2F3N29O13
Molecular Weight2599.02 g/mol
Exact Mass2596.32
IUPAC Name1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C(F)(F)F)cc4)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3N3CCCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC[C@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3[C@H](C)CC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CCN(C4CC4)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)n1
InChIInChI=1S/C26H35N5O2.C24H31ClN6O2.C24H33N5O2.C23H23ClN4O3.C23H31N5O2.C20H21F3N4O2/c1-20-6-7-22(24(18-20)28-12-3-4-13-28)19-30-14-5-9-26(30)10-16-29(17-11-26)25(33)31-15-8-23(27-31)21(2)32;1-18(32)22-6-7-31(26-22)24(33)30-10-8-27(9-11-30)17-19-2-3-20(25)16-23(19)29-14-12-28(13-15-29)21-4-5-21;1-17-5-8-21(23(15-17)29-18(2)6-7-19(29)3)16-26-11-13-27(14-12-26)24(31)28-10-9-22(25-28)20(4)30;1-17(29)22-9-10-28(25-22)23(30)27-13-11-26(12-14-27)16-18-3-2-4-21(15-18)31-20-7-5-19(24)6-8-20;1-17-6-7-20(22(15-17)27-9-4-5-18(27)2)16-25-11-13-26(14-12-25)23(30)28-10-8-21(24-28)19(3)29;1-13(28)18-6-7-27(24-18)19(29)26-11-15-9-25(10-16(15)12-26)8-14-2-4-17(5-3-14)20(21,22)23/h6-8,15,18H,3-5,9-14,16-17,19H2,1-2H3;2-3,6-7,16,21H,4-5,8-15,17H2,1H3;5,8-10,15,18-19H,6-7,11-14,16H2,1-4H3;2-10,15H,11-14,16H2,1H3;6-8,10,15,18H,4-5,9,11-14,16H2,1-3H3;2-7,15-16H,8-12H2,1H3/t;;18-,19+;;18-;/m....1./s1
InChIKeyFXAFDTKPWCGATE-USPGFQRGSA-N
XLogP21.08
TPSA376.07 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds25
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002599.02
LogP ≤ 521.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone (CID 163568213) is 1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C(F)(F)F)cc4)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3N3CCCC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCC[C@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3[C@H](C)CC[C@@H]3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)cc3N3CCN(C4CC4)CC3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)n1.
What is the InChIKey of 1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is FXAFDTKPWCGATE-USPGFQRGSA-N. The full InChI is InChI=1S/C26H35N5O2.C24H31ClN6O2.C24H33N5O2.C23H23ClN4O3.C23H31N5O2.C20H21F3N4O2/c1-20-6-7-22(24(18-20)28-12-3-4-13-28)19-30-14-5-9-26(30)10-16-29(17-11-26)25(33)31-15-8-23(27-31)21(2)32;1-18(32)22-6-7-31(26-22)24(33)30-10-8-27(9-11-30)17-19-2-3-20(25)16-23(19)29-14-12-28(13-15-29)21-4-5-21;1-17-5-8-21(23(15-17)29-18(2)6-7-19(29)3)16-26-11-13-27(14-12-26)24(31)28-10-9-22(25-28)20(4)30;1-17(29)22-9-10-28(25-22)23(30)27-13-11-26(12-14-27)16-18-3-2-4-21(15-18)31-20-7-5-19(24)6-8-20;1-17-6-7-20(22(15-17)27-9-4-5-18(27)2)16-25-11-13-26(14-12-25)23(30)28-10-8-21(24-28)19(3)29;1-13(28)18-6-7-27(24-18)19(29)26-11-15-9-25(10-16(15)12-26)8-14-2-4-17(5-3-14)20(21,22)23/h6-8,15,18H,3-5,9-14,16-17,19H2,1-2H3;2-3,6-7,16,21H,4-5,8-15,17H2,1H3;5,8-10,15,18-19H,6-7,11-14,16H2,1-4H3;2-10,15H,11-14,16H2,1H3;6-8,10,15,18H,4-5,9,11-14,16H2,1-3H3;2-7,15-16H,8-12H2,1H3/t;;18-,19+;;18-;/m....1./s1.
What are the key properties of 1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2599.02 g/mol, XLogP of 21.08, 25 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163568213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).