N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide

C13H12N6O — CID 61273398

IUPACN-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCn1cnnc1-c1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H12N6O/c1-19-8-16-18-12(19)9-2-4-11(5-3-9)17-13(20)10-6-14-15-7-10/h2-8H,1H3,(H,14,15)(H,17,20)
InChIKeyVXHIEZUHFDXQIF-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.46
Rot. Bonds3

About N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide

N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 61273398) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID61273398
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCn1cnnc1-c1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H12N6O/c1-19-8-16-18-12(19)9-2-4-11(5-3-9)17-13(20)10-6-14-15-7-10/h2-8H,1H3,(H,14,15)(H,17,20)
InChIKeyVXHIEZUHFDXQIF-UHFFFAOYSA-N
XLogP1.46
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide (CID 61273398) is N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide is Cn1cnnc1-c1ccc(NC(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is VXHIEZUHFDXQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-19-8-16-18-12(19)9-2-4-11(5-3-9)17-13(20)10-6-14-15-7-10/h2-8H,1H3,(H,14,15)(H,17,20).
What are the key properties of N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide?
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61273398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).