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

C13H13N7O — CID 65355126

IUPAC4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2ccc(-n3cncn3)cc2)n1
InChIInChI=1S/C13H13N7O/c1-19-6-11(14)12(18-19)13(21)17-9-2-4-10(5-3-9)20-8-15-7-16-20/h2-8H,14H2,1H3,(H,17,21)
InChIKeyYOUPRTREZFVEBX-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.84
Rot. Bonds3

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

4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide (PubChem CID 65355126) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
PubChem CID65355126
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2ccc(-n3cncn3)cc2)n1
InChIInChI=1S/C13H13N7O/c1-19-6-11(14)12(18-19)13(21)17-9-2-4-10(5-3-9)20-8-15-7-16-20/h2-8H,14H2,1H3,(H,17,21)
InChIKeyYOUPRTREZFVEBX-UHFFFAOYSA-N
XLogP0.84
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 63103393
[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-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 114051422
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide
CID 65353904
5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 37121264
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
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079
2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 47303590

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide (CID 65355126) is 4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide is Cn1cc(N)c(C(=O)Nc2ccc(-n3cncn3)cc2)n1.
What is the InChIKey of 4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide?
The InChIKey is YOUPRTREZFVEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-19-6-11(14)12(18-19)13(21)17-9-2-4-10(5-3-9)20-8-15-7-16-20/h2-8H,14H2,1H3,(H,17,21).
What are the key properties of 4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide?
4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 65355126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).