4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide

C12H11N7O — CID 63103393

IUPAC4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C12H11N7O/c13-10-5-15-18-11(10)12(20)17-8-1-3-9(4-2-8)19-7-14-6-16-19/h1-7H,13H2,(H,15,18)(H,17,20)
InChIKeyWRIBFSLKDXNHJY-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.82
Rot. Bonds3

About 4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide

4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 63103393) has the molecular formula C12H11N7O and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID63103393
Molecular FormulaC12H11N7O
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C12H11N7O/c13-10-5-15-18-11(10)12(20)17-8-1-3-9(4-2-8)19-7-14-6-16-19/h1-7H,13H2,(H,15,18)(H,17,20)
InChIKeyWRIBFSLKDXNHJY-UHFFFAOYSA-N
XLogP0.82
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 61102206
4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63106114
4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
CID 65355126
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 60927071
4-methyl-1-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]-2H-isoquinoline-3-carboxamide
CID 166369803
5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 37121264
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079
4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 35535373
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538
4-(methylsulfonylmethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121988

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide (CID 63103393) is 4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of 4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WRIBFSLKDXNHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O/c13-10-5-15-18-11(10)12(20)17-8-1-3-9(4-2-8)19-7-14-6-16-19/h1-7H,13H2,(H,15,18)(H,17,20).
What are the key properties of 4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 269.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).