1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride

C18H21Cl2N7O — CID 120642030

About 1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride

1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 120642030) has the molecular formula C18H21Cl2N7O and a molecular weight of 422.32 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride
• PubChem CID: 120642030
• Molecular Formula: C18H21Cl2N7O
• Molecular Weight: 422.32 g/mol
• Exact Mass: 421.12
• IUPAC Name: 1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride
• SMILES: Cl.Cn1nc(C2CCNCC2)nc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1
• InChI: InChI=1S/C18H20ClN7O.ClH/c1-25-18(21-16(24-25)12-5-8-20-9-6-12)22-17(27)15-7-10-26(23-15)14-4-2-3-13(19)11-14;/h2-4,7,10-12,20H,5-6,8-9H2,1H3,(H,21,22,24,27);1H
• InChIKey: PETXANYNAQXLCQ-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 89.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.32
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride?

The IUPAC name of 1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride (CID 120642030) is 1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride.

What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride?

The canonical SMILES for 1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride is Cl.Cn1nc(C2CCNCC2)nc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1.

What is the InChIKey of 1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride?

The InChIKey is PETXANYNAQXLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O.ClH/c1-25-18(21-16(24-25)12-5-8-20-9-6-12)22-17(27)15-7-10-26(23-15)14-4-2-3-13(19)11-14;/h2-4,7,10-12,20H,5-6,8-9H2,1H3,(H,21,22,24,27);1H.

What are the key properties of 1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride?

1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 422.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120642030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).