3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide

C115H143N33O18S3 — CID 158225613

About 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide

3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 158225613) has the molecular formula C115H143N33O18S3 and a molecular weight of 2371.82 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
• PubChem CID: 158225613
• Molecular Formula: C115H143N33O18S3
• Molecular Weight: 2371.82 g/mol
• Exact Mass: 2370.05
• IUPAC Name: 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
• SMILES: [C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(NS(C)(=O)=O)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(OC)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(NS(C)(=O)=O)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(OC)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccccc2NS(C)(=O)=O)CC1
• InChI: InChI=1S/3C23H29N7O4S.2C23H28N6O3/c1-25-15-23(30-14-19(20(24)31)21(27-30)26-22(32)17-5-6-17)9-11-29(12-10-23)13-16-3-7-18(8-4-16)28-35(2,33)34;1-25-15-23(30-14-19(20(24)31)21(27-30)26-22(32)17-6-7-17)8-10-29(11-9-23)13-16-4-3-5-18(12-16)28-35(2,33)34;1-25-15-23(30-14-18(20(24)31)21(27-30)26-22(32)16-7-8-16)9-11-29(12-10-23)13-17-5-3-4-6-19(17)28-35(2,33)34;1-25-15-23(9-11-28(12-10-23)13-16-3-7-18(32-2)8-4-16)29-14-19(20(24)30)21(27-29)26-22(31)17-5-6-17;1-25-15-23(8-10-28(11-9-23)13-16-4-3-5-18(12-16)32-2)29-14-19(20(24)30)21(27-29)26-22(31)17-6-7-17/h3-4,7-8,14,17,28H,5-6,9-13,15H2,2H3,(H2,24,31)(H,26,27,32);3-5,12,14,17,28H,6-11,13,15H2,2H3,(H2,24,31)(H,26,27,32);3-6,14,16,28H,7-13,15H2,2H3,(H2,24,31)(H,26,27,32);3-4,7-8,14,17H,5-6,9-13,15H2,2H3,(H2,24,30)(H,26,27,31);3-5,12,14,17H,6-11,13,15H2,2H3,(H2,24,30)(H,26,27,31)
• InChIKey: GDTLSQYLJYHLLZ-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 645.02 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 43
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2371.82
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?

The IUPAC name of 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 158225613) is 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?

The canonical SMILES for 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide is [C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(NS(C)(=O)=O)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(OC)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(NS(C)(=O)=O)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(OC)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccccc2NS(C)(=O)=O)CC1.

What is the InChIKey of 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?

The InChIKey is GDTLSQYLJYHLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H29N7O4S.2C23H28N6O3/c1-25-15-23(30-14-19(20(24)31)21(27-30)26-22(32)17-5-6-17)9-11-29(12-10-23)13-16-3-7-18(8-4-16)28-35(2,33)34;1-25-15-23(30-14-19(20(24)31)21(27-30)26-22(32)17-6-7-17)8-10-29(11-9-23)13-16-4-3-5-18(12-16)28-35(2,33)34;1-25-15-23(30-14-18(20(24)31)21(27-30)26-22(32)16-7-8-16)9-11-29(12-10-23)13-17-5-3-4-6-19(17)28-35(2,33)34;1-25-15-23(9-11-28(12-10-23)13-16-3-7-18(32-2)8-4-16)29-14-19(20(24)30)21(27-29)26-22(31)17-5-6-17;1-25-15-23(8-10-28(11-9-23)13-16-4-3-5-18(12-16)32-2)29-14-19(20(24)30)21(27-29)26-22(31)17-6-7-17/h3-4,7-8,14,17,28H,5-6,9-13,15H2,2H3,(H2,24,31)(H,26,27,32);3-5,12,14,17,28H,6-11,13,15H2,2H3,(H2,24,31)(H,26,27,32);3-6,14,16,28H,7-13,15H2,2H3,(H2,24,31)(H,26,27,32);3-4,7-8,14,17H,5-6,9-13,15H2,2H3,(H2,24,30)(H,26,27,31);3-5,12,14,17H,6-11,13,15H2,2H3,(H2,24,30)(H,26,27,31).

What are the key properties of 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide?

3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 2371.82 g/mol, XLogP of 9.34, 43 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 158225613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).