1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide

C108H112Cl4N24O8S2 — CID 161479948

IUPAC1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccc(Cl)s3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(Cl)c3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3csc(Cl)c3)cc2)CC1
InChIInChI=1S/2C28H29ClN6O2.2C26H27ClN6O2S/c1-31-18-28(35-17-24(25(30)36)26(33-35)32-27(37)22-6-7-22)12-14-34(15-13-28)16-19-2-4-20(5-3-19)21-8-10-23(29)11-9-21;1-31-18-28(35-17-24(25(30)36)26(33-35)32-27(37)21-9-10-21)11-13-34(14-12-28)16-19-5-7-20(8-6-19)22-3-2-4-23(29)15-22;1-29-16-26(33-14-21(23(28)34)24(31-33)30-25(35)19-6-7-19)8-10-32(11-9-26)13-17-2-4-18(5-3-17)20-12-22(27)36-15-20;1-29-16-26(33-15-20(23(28)34)24(31-33)30-25(35)19-6-7-19)10-12-32(13-11-26)14-17-2-4-18(5-3-17)21-8-9-22(27)36-21/h2-5,8-11,17,22H,6-7,12-16,18H2,(H2,30,36)(H,32,33,37);2-8,15,17,21H,9-14,16,18H2,(H2,30,36)(H,32,33,37);2-5,12,14-15,19H,6-11,13,16H2,(H2,28,34)(H,30,31,35);2-5,8-9,15,19H,6-7,10-14,16H2,(H2,28,34)(H,30,31,35)
InChIKeyWEFNALSBJOKSRX-UHFFFAOYSA-N
MW2080.19 g/mol
LogP18.37
Rot. Bonds32

About 1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide

1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide (PubChem CID 161479948) has the molecular formula C108H112Cl4N24O8S2 and a molecular weight of 2080.19 g/mol. Its IUPAC name is 1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
PubChem CID161479948
Molecular FormulaC108H112Cl4N24O8S2
Molecular Weight2080.19 g/mol
Exact Mass2076.73
IUPAC Name1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccc(Cl)s3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(Cl)c3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3csc(Cl)c3)cc2)CC1
InChIInChI=1S/2C28H29ClN6O2.2C26H27ClN6O2S/c1-31-18-28(35-17-24(25(30)36)26(33-35)32-27(37)22-6-7-22)12-14-34(15-13-28)16-19-2-4-20(5-3-19)21-8-10-23(29)11-9-21;1-31-18-28(35-17-24(25(30)36)26(33-35)32-27(37)21-9-10-21)11-13-34(14-12-28)16-19-5-7-20(8-6-19)22-3-2-4-23(29)15-22;1-29-16-26(33-14-21(23(28)34)24(31-33)30-25(35)19-6-7-19)8-10-32(11-9-26)13-17-2-4-18(5-3-17)20-12-22(27)36-15-20;1-29-16-26(33-15-20(23(28)34)24(31-33)30-25(35)19-6-7-19)10-12-32(13-11-26)14-17-2-4-18(5-3-17)21-8-9-22(27)36-21/h2-5,8-11,17,22H,6-7,12-16,18H2,(H2,30,36)(H,32,33,37);2-8,15,17,21H,9-14,16,18H2,(H2,30,36)(H,32,33,37);2-5,12,14-15,19H,6-11,13,16H2,(H2,28,34)(H,30,31,35);2-5,8-9,15,19H,6-7,10-14,16H2,(H2,28,34)(H,30,31,35)
InChIKeyWEFNALSBJOKSRX-UHFFFAOYSA-N
XLogP18.37
TPSA390.44 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002080.19
LogP ≤ 518.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[1-[(4-Chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 159788168
1-[1-[[4-(3-Chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(dimethylcarbamoyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(3-fluorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 157086490
1-[1-[[6-(5-chlorothiophen-3-yl)-3-pyridinyl]methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[(3R,4S)-4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[(3S,4S)-4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[(3R,4R)-4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 157790670
1-[1-[(2-Chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[(3-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(3-fluorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-fluorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 158049362
1-[1-[(2-Chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[(3-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[(4-fluorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 158940260

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide?
The IUPAC name of 1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide (CID 161479948) is 1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide is [C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccc(Cl)s3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(Cl)c3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3csc(Cl)c3)cc2)CC1.
What is the InChIKey of 1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide?
The InChIKey is WEFNALSBJOKSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H29ClN6O2.2C26H27ClN6O2S/c1-31-18-28(35-17-24(25(30)36)26(33-35)32-27(37)22-6-7-22)12-14-34(15-13-28)16-19-2-4-20(5-3-19)21-8-10-23(29)11-9-21;1-31-18-28(35-17-24(25(30)36)26(33-35)32-27(37)21-9-10-21)11-13-34(14-12-28)16-19-5-7-20(8-6-19)22-3-2-4-23(29)15-22;1-29-16-26(33-14-21(23(28)34)24(31-33)30-25(35)19-6-7-19)8-10-32(11-9-26)13-17-2-4-18(5-3-17)20-12-22(27)36-15-20;1-29-16-26(33-15-20(23(28)34)24(31-33)30-25(35)19-6-7-19)10-12-32(13-11-26)14-17-2-4-18(5-3-17)21-8-9-22(27)36-21/h2-5,8-11,17,22H,6-7,12-16,18H2,(H2,30,36)(H,32,33,37);2-8,15,17,21H,9-14,16,18H2,(H2,30,36)(H,32,33,37);2-5,12,14-15,19H,6-11,13,16H2,(H2,28,34)(H,30,31,35);2-5,8-9,15,19H,6-7,10-14,16H2,(H2,28,34)(H,30,31,35).
What are the key properties of 1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide?
1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide has a molecular weight of 2080.19 g/mol, XLogP of 18.37, 32 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 161479948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).