3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide

C67H73ClN14O7 — CID 161464158

About 3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide

3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide (PubChem CID 161464158) has the molecular formula C67H73ClN14O7 and a molecular weight of 1221.86 g/mol. Its IUPAC name is 3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide
• PubChem CID: 161464158
• Molecular Formula: C67H73ClN14O7
• Molecular Weight: 1221.86 g/mol
• Exact Mass: 1220.55
• IUPAC Name: 3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide
• SMILES: C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(-n4cccn4)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Cc4ccccc4)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(OC(C)C)c(Cl)c3)n2)C1
• InChI: InChI=1S/C25H26N4O2.C21H25ClN4O3.C21H22N6O2/c1-2-23(30)28-14-6-9-21(16-28)29-17-22(25(26)31)24(27-29)20-12-10-19(11-13-20)15-18-7-4-3-5-8-18;1-4-19(27)25-9-5-6-15(11-25)26-12-16(21(23)28)20(24-26)14-7-8-18(17(22)10-14)29-13(2)3;1-2-19(28)25-11-3-5-17(13-25)27-14-18(21(22)29)20(24-27)15-6-8-16(9-7-15)26-12-4-10-23-26/h2-5,7-8,10-13,17,21H,1,6,9,14-16H2,(H2,26,31);4,7-8,10,12-13,15H,1,5-6,9,11H2,2-3H3,(H2,23,28);2,4,6-10,12,14,17H,1,3,5,11,13H2,(H2,22,29)/t21-;15-;17-/m111/s1
• InChIKey: WCEZBFCVHZSAMY-LJVBTDJUSA-N
• XLogP: 9.21
• TPSA: 270.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1221.86
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide?

The IUPAC name of 3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide (CID 161464158) is 3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide.

What is the SMILES notation for 3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide?

The canonical SMILES for 3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide is C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(-n4cccn4)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(Cc4ccccc4)cc3)n2)C1.C=CC(=O)N1CCC[C@@H](n2cc(C(N)=O)c(-c3ccc(OC(C)C)c(Cl)c3)n2)C1.

What is the InChIKey of 3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide?

The InChIKey is WCEZBFCVHZSAMY-LJVBTDJUSA-N. The full InChI is InChI=1S/C25H26N4O2.C21H25ClN4O3.C21H22N6O2/c1-2-23(30)28-14-6-9-21(16-28)29-17-22(25(26)31)24(27-29)20-12-10-19(11-13-20)15-18-7-4-3-5-8-18;1-4-19(27)25-9-5-6-15(11-25)26-12-16(21(23)28)20(24-26)14-7-8-18(17(22)10-14)29-13(2)3;1-2-19(28)25-11-3-5-17(13-25)27-14-18(21(22)29)20(24-27)15-6-8-16(9-7-15)26-12-4-10-23-26/h2-5,7-8,10-13,17,21H,1,6,9,14-16H2,(H2,26,31);4,7-8,10,12-13,15H,1,5-6,9,11H2,2-3H3,(H2,23,28);2,4,6-10,12,14,17H,1,3,5,11,13H2,(H2,22,29)/t21-;15-;17-/m111/s1.

What are the key properties of 3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide?

3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 1221.86 g/mol, XLogP of 9.21, 17 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-(3-chloro-4-propan-2-yloxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 161464158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).