3-(cyclopropanecarbonylamino)-1-[1-[[4-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide

C119H134N24O10 — CID 160848480

About 3-(cyclopropanecarbonylamino)-1-[1-[[4-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide

3-(cyclopropanecarbonylamino)-1-[1-[[4-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 160848480) has the molecular formula C119H134N24O10 and a molecular weight of 2060.54 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-1-[1-[[4-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(cyclopropanecarbonylamino)-1-[1-[[4-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
• PubChem CID: 160848480
• Molecular Formula: C119H134N24O10
• Molecular Weight: 2060.54 g/mol
• Exact Mass: 2059.07
• IUPAC Name: 3-(cyclopropanecarbonylamino)-1-[1-[[4-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)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(CC)cc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(CC)c3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(CO)c3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(COC)c3)cc2)CC1
• InChI: InChI=1S/C30H34N6O3.2C30H34N6O2.C29H32N6O3/c1-32-20-30(36-18-26(27(31)37)28(34-36)33-29(38)24-10-11-24)12-14-35(15-13-30)17-21-6-8-23(9-7-21)25-5-3-4-22(16-25)19-39-2;1-3-21-4-8-23(9-5-21)24-10-6-22(7-11-24)18-35-16-14-30(15-17-35,20-32-2)36-19-26(27(31)37)28(34-36)33-29(38)25-12-13-25;1-3-21-5-4-6-25(17-21)23-9-7-22(8-10-23)18-35-15-13-30(14-16-35,20-32-2)36-19-26(27(31)37)28(34-36)33-29(38)24-11-12-24;1-31-19-29(35-17-25(26(30)37)27(33-35)32-28(38)23-9-10-23)11-13-34(14-12-29)16-20-5-7-22(8-6-20)24-4-2-3-21(15-24)18-36/h3-9,16,18,24H,10-15,17,19-20H2,2H3,(H2,31,37)(H,33,34,38);4-11,19,25H,3,12-18,20H2,1H3,(H2,31,37)(H,33,34,38);4-10,17,19,24H,3,11-16,18,20H2,1H3,(H2,31,37)(H,33,34,38);2-8,15,17,23,36H,9-14,16,18-19H2,(H2,30,37)(H,32,33,38)
• InChIKey: SIYJNOFKZRCCNZ-UHFFFAOYSA-N
• XLogP: 16.40
• TPSA: 419.90 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 37
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2060.54
LogP ≤ 5	16.40
H-Bond Donors ≤ 5	9
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-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide?

The IUPAC name of 3-(cyclopropanecarbonylamino)-1-[1-[[4-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 160848480) is 3-(cyclopropanecarbonylamino)-1-[1-[[4-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide.

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

The canonical SMILES for 3-(cyclopropanecarbonylamino)-1-[1-[[4-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)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(CC)cc3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(CC)c3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(CO)c3)cc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(-c3cccc(COC)c3)cc2)CC1.

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

The InChIKey is SIYJNOFKZRCCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3.2C30H34N6O2.C29H32N6O3/c1-32-20-30(36-18-26(27(31)37)28(34-36)33-29(38)24-10-11-24)12-14-35(15-13-30)17-21-6-8-23(9-7-21)25-5-3-4-22(16-25)19-39-2;1-3-21-4-8-23(9-5-21)24-10-6-22(7-11-24)18-35-16-14-30(15-17-35,20-32-2)36-19-26(27(31)37)28(34-36)33-29(38)25-12-13-25;1-3-21-5-4-6-25(17-21)23-9-7-22(8-10-23)18-35-15-13-30(14-16-35,20-32-2)36-19-26(27(31)37)28(34-36)33-29(38)24-11-12-24;1-31-19-29(35-17-25(26(30)37)27(33-35)32-28(38)23-9-10-23)11-13-34(14-12-29)16-20-5-7-22(8-6-20)24-4-2-3-21(15-24)18-36/h3-9,16,18,24H,10-15,17,19-20H2,2H3,(H2,31,37)(H,33,34,38);4-11,19,25H,3,12-18,20H2,1H3,(H2,31,37)(H,33,34,38);4-10,17,19,24H,3,11-16,18,20H2,1H3,(H2,31,37)(H,33,34,38);2-8,15,17,23,36H,9-14,16,18-19H2,(H2,30,37)(H,32,33,38).

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

3-(cyclopropanecarbonylamino)-1-[1-[[4-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 2060.54 g/mol, XLogP of 16.40, 37 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropanecarbonylamino)-1-[1-[[4-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 160848480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).