3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide

C13H13N7O — CID 64525875

IUPAC3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3cc(N)n[nH]3)c2)n[nH]1
InChIInChI=1S/C13H13N7O/c1-7-15-12(20-17-7)8-3-2-4-9(5-8)16-13(21)10-6-11(14)19-18-10/h2-6H,1H3,(H,16,21)(H3,14,18,19)(H,15,17,20)
InChIKeyRXOZBDYXQNDLTE-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.34
Rot. Bonds3

About 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide

3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 64525875) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID64525875
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3cc(N)n[nH]3)c2)n[nH]1
InChIInChI=1S/C13H13N7O/c1-7-15-12(20-17-7)8-3-2-4-9(5-8)16-13(21)10-6-11(14)19-18-10/h2-6H,1H3,(H,16,21)(H3,14,18,19)(H,15,17,20)
InChIKeyRXOZBDYXQNDLTE-UHFFFAOYSA-N
XLogP1.34
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide
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3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 87011024
3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 131928767
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide (CID 64525875) is 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide is Cc1nc(-c2cccc(NC(=O)c3cc(N)n[nH]3)c2)n[nH]1.
What is the InChIKey of 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is RXOZBDYXQNDLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-7-15-12(20-17-7)8-3-2-4-9(5-8)16-13(21)10-6-11(14)19-18-10/h2-6H,1H3,(H,16,21)(H3,14,18,19)(H,15,17,20).
What are the key properties of 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).