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-(2-fluorophenyl)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

C118H128F2N26O10 — CID 160731207

About 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-(2-fluorophenyl)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

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-(2-fluorophenyl)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 (PubChem CID 160731207) has the molecular formula C118H128F2N26O10 and a molecular weight of 2108.49 g/mol. Its IUPAC name is 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-(2-fluorophenyl)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.

Molecular Properties

• Compound Name: 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-(2-fluorophenyl)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
• PubChem CID: 160731207
• Molecular Formula: C118H128F2N26O10
• Molecular Weight: 2108.49 g/mol
• Exact Mass: 2107.03
• IUPAC Name: 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-(2-fluorophenyl)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
• SMILES: [C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(C(=O)N(C)C)c3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(F)c3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccccc3C(=O)N(C)C)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccccc3F)cc2)CC1
• InChI: InChI=1S/2C31H35N7O3.2C28H29FN6O2/c1-33-20-31(38-19-26(27(32)39)28(35-38)34-29(40)23-11-12-23)13-15-37(16-14-31)18-21-7-9-22(10-8-21)24-5-4-6-25(17-24)30(41)36(2)3;1-33-20-31(38-19-26(27(32)39)28(35-38)34-29(40)23-12-13-23)14-16-37(17-15-31)18-21-8-10-22(11-9-21)24-6-4-5-7-25(24)30(41)36(2)3;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;1-31-18-28(35-17-23(25(30)36)26(33-35)32-27(37)21-10-11-21)12-14-34(15-13-28)16-19-6-8-20(9-7-19)22-4-2-3-5-24(22)29/h4-10,17,19,23H,11-16,18,20H2,2-3H3,(H2,32,39)(H,34,35,40);4-11,19,23H,12-18,20H2,2-3H3,(H2,32,39)(H,34,35,40);2-8,15,17,21H,9-14,16,18H2,(H2,30,36)(H,32,33,37);2-9,17,21H,10-16,18H2,(H2,30,36)(H,32,33,37)
• InChIKey: RUJBMHZJIALLJI-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 431.06 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 34
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2108.49
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

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-[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-(2-fluorophenyl)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?

The IUPAC name of 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-(2-fluorophenyl)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 160731207) is 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-(2-fluorophenyl)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.

What is the SMILES notation for 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-(2-fluorophenyl)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?

The canonical SMILES for 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-(2-fluorophenyl)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 is [C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(C(=O)N(C)C)c3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(F)c3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccccc3C(=O)N(C)C)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccccc3F)cc2)CC1.

What is the InChIKey of 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-(2-fluorophenyl)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?

The InChIKey is RUJBMHZJIALLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H35N7O3.2C28H29FN6O2/c1-33-20-31(38-19-26(27(32)39)28(35-38)34-29(40)23-11-12-23)13-15-37(16-14-31)18-21-7-9-22(10-8-21)24-5-4-6-25(17-24)30(41)36(2)3;1-33-20-31(38-19-26(27(32)39)28(35-38)34-29(40)23-12-13-23)14-16-37(17-15-31)18-21-8-10-22(11-9-21)24-6-4-5-7-25(24)30(41)36(2)3;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;1-31-18-28(35-17-23(25(30)36)26(33-35)32-27(37)21-10-11-21)12-14-34(15-13-28)16-19-6-8-20(9-7-19)22-4-2-3-5-24(22)29/h4-10,17,19,23H,11-16,18,20H2,2-3H3,(H2,32,39)(H,34,35,40);4-11,19,23H,12-18,20H2,2-3H3,(H2,32,39)(H,34,35,40);2-8,15,17,21H,9-14,16,18H2,(H2,30,36)(H,32,33,37);2-9,17,21H,10-16,18H2,(H2,30,36)(H,32,33,37).

What are the key properties of 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-(2-fluorophenyl)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?

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-(2-fluorophenyl)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 has a molecular weight of 2108.49 g/mol, XLogP of 15.31, 34 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(2-fluorophenyl)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 is sourced from PubChem (CID 160731207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).