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

C116H122F6N24O10 — CID 162090930

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

3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 162090930) has the molecular formula C116H122F6N24O10 and a molecular weight of 2126.40 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
• PubChem CID: 162090930
• Molecular Formula: C116H122F6N24O10
• Molecular Weight: 2126.40 g/mol
• Exact Mass: 2124.97
• IUPAC Name: 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
• SMILES: [C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccc(OC)cc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(OC)c3)cc2)CC1
• InChI: InChI=1S/2C29H29F3N6O2.2C29H32N6O3/c1-34-18-28(38-17-24(25(33)39)26(36-38)35-27(40)22-6-7-22)12-14-37(15-13-28)16-19-2-4-20(5-3-19)21-8-10-23(11-9-21)29(30,31)32;1-34-18-28(38-17-24(25(33)39)26(36-38)35-27(40)21-9-10-21)11-13-37(14-12-28)16-19-5-7-20(8-6-19)22-3-2-4-23(15-22)29(30,31)32;1-31-19-29(35-18-25(26(30)36)27(33-35)32-28(37)23-7-8-23)13-15-34(16-14-29)17-20-3-5-21(6-4-20)22-9-11-24(38-2)12-10-22;1-31-19-29(35-18-25(26(30)36)27(33-35)32-28(37)22-10-11-22)12-14-34(15-13-29)17-20-6-8-21(9-7-20)23-4-3-5-24(16-23)38-2/h2-5,8-11,17,22H,6-7,12-16,18H2,(H2,33,39)(H,35,36,40);2-8,15,17,21H,9-14,16,18H2,(H2,33,39)(H,35,36,40);3-6,9-12,18,23H,7-8,13-17,19H2,2H3,(H2,30,36)(H,32,33,37);3-9,16,18,22H,10-15,17,19H2,2H3,(H2,30,36)(H,32,33,37)
• InChIKey: ZDPDZDVDRJOFHU-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 408.90 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	2126.40
LogP ≤ 5	17.69
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-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?

The IUPAC name of 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 162090930) is 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide.

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

The canonical SMILES for 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide is [C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3ccc(OC)cc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(OC)c3)cc2)CC1.

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

The InChIKey is ZDPDZDVDRJOFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H29F3N6O2.2C29H32N6O3/c1-34-18-28(38-17-24(25(33)39)26(36-38)35-27(40)22-6-7-22)12-14-37(15-13-28)16-19-2-4-20(5-3-19)21-8-10-23(11-9-21)29(30,31)32;1-34-18-28(38-17-24(25(33)39)26(36-38)35-27(40)21-9-10-21)11-13-37(14-12-28)16-19-5-7-20(8-6-19)22-3-2-4-23(15-22)29(30,31)32;1-31-19-29(35-18-25(26(30)36)27(33-35)32-28(37)23-7-8-23)13-15-34(16-14-29)17-20-3-5-21(6-4-20)22-9-11-24(38-2)12-10-22;1-31-19-29(35-18-25(26(30)36)27(33-35)32-28(37)22-10-11-22)12-14-34(15-13-29)17-20-6-8-21(9-7-20)23-4-3-5-24(16-23)38-2/h2-5,8-11,17,22H,6-7,12-16,18H2,(H2,33,39)(H,35,36,40);2-8,15,17,21H,9-14,16,18H2,(H2,33,39)(H,35,36,40);3-6,9-12,18,23H,7-8,13-17,19H2,2H3,(H2,30,36)(H,32,33,37);3-9,16,18,22H,10-15,17,19H2,2H3,(H2,30,36)(H,32,33,37).

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

3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 2126.40 g/mol, XLogP of 17.69, 34 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 162090930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).