3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide

C16H15ClN6O — CID 71707041

IUPAC3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1n[nH]c(C2CC2)n1
InChIInChI=1S/C16H15ClN6O/c1-23-13(8-12(22-23)9-4-6-11(17)7-5-9)15(24)19-16-18-14(20-21-16)10-2-3-10/h4-8,10H,2-3H2,1H3,(H2,18,19,20,21,24)
InChIKeyLANQQJLWRQXOLJ-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.99
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide

3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 71707041) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide
PubChem CID71707041
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1n[nH]c(C2CC2)n1
InChIInChI=1S/C16H15ClN6O/c1-23-13(8-12(22-23)9-4-6-11(17)7-5-9)15(24)19-16-18-14(20-21-16)10-2-3-10/h4-8,10H,2-3H2,1H3,(H2,18,19,20,21,24)
InChIKeyLANQQJLWRQXOLJ-UHFFFAOYSA-N
XLogP2.99
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide (CID 71707041) is 3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1n[nH]c(C2CC2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is LANQQJLWRQXOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c1-23-13(8-12(22-23)9-4-6-11(17)7-5-9)15(24)19-16-18-14(20-21-16)10-2-3-10/h4-8,10H,2-3H2,1H3,(H2,18,19,20,21,24).
What are the key properties of 3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71707041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).