5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H15N7O — CID 56787176

IUPAC5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3cnn4ccc(C)nc34)n[nH]2)cc1
InChIInChI=1S/C17H15N7O/c1-10-3-5-12(6-4-10)14-20-17(23-22-14)21-16(25)13-9-18-24-8-7-11(2)19-15(13)24/h3-9H,1-2H3,(H2,20,21,22,23,25)
InChIKeyCDYNVWFDOUYPEB-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.38
Rot. Bonds3

About 5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56787176) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56787176
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3cnn4ccc(C)nc34)n[nH]2)cc1
InChIInChI=1S/C17H15N7O/c1-10-3-5-12(6-4-10)14-20-17(23-22-14)21-16(25)13-9-18-24-8-7-11(2)19-15(13)24/h3-9H,1-2H3,(H2,20,21,22,23,25)
InChIKeyCDYNVWFDOUYPEB-UHFFFAOYSA-N
XLogP2.38
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide
CID 9247075
N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 44615693
N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122133688
5-methyl-N-[4-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167960553
N-(1,3-benzodioxol-5-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136523125
2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119249566
N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154800069
3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119211732
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36861383
5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119512184
4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119188230
1-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119132499

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56787176) is 5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2nc(NC(=O)c3cnn4ccc(C)nc34)n[nH]2)cc1.
What is the InChIKey of 5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CDYNVWFDOUYPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-10-3-5-12(6-4-10)14-20-17(23-22-14)21-16(25)13-9-18-24-8-7-11(2)19-15(13)24/h3-9H,1-2H3,(H2,20,21,22,23,25).
What are the key properties of 5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56787176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).