4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide

C12H14N4O — CID 62083149

IUPAC4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2n[nH]c(C)c2N)c1
InChIInChI=1S/C12H14N4O/c1-7-4-3-5-9(6-7)14-12(17)11-10(13)8(2)15-16-11/h3-6H,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyOABDRXVTTGJZAZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.86
Rot. Bonds2

About 4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 62083149) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
PubChem CID62083149
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2n[nH]c(C)c2N)c1
InChIInChI=1S/C12H14N4O/c1-7-4-3-5-9(6-7)14-12(17)11-10(13)8(2)15-16-11/h3-6H,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyOABDRXVTTGJZAZ-UHFFFAOYSA-N
XLogP1.86
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide (CID 62083149) is 4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide is Cc1cccc(NC(=O)c2n[nH]c(C)c2N)c1.
What is the InChIKey of 4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is OABDRXVTTGJZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-4-3-5-9(6-7)14-12(17)11-10(13)8(2)15-16-11/h3-6H,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62083149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).