N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H15N7O — CID 974414

IUPACN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3nc4ncccn4n3)n2)cc1
InChIInChI=1S/C17H15N7O/c1-12-3-5-13(6-4-12)11-23-10-7-14(21-23)19-16(25)15-20-17-18-8-2-9-24(17)22-15/h2-10H,11H2,1H3,(H,19,21,25)
InChIKeyQVELJVKSVAVHDV-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.93
Rot. Bonds4

About N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 974414) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID974414
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3nc4ncccn4n3)n2)cc1
InChIInChI=1S/C17H15N7O/c1-12-3-5-13(6-4-12)11-23-10-7-14(21-23)19-16(25)15-20-17-18-8-2-9-24(17)22-15/h2-10H,11H2,1H3,(H,19,21,25)
InChIKeyQVELJVKSVAVHDV-UHFFFAOYSA-N
XLogP1.93
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 974414) is N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(Cn2ccc(NC(=O)c3nc4ncccn4n3)n2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QVELJVKSVAVHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-12-3-5-13(6-4-12)11-23-10-7-14(21-23)19-16(25)15-20-17-18-8-2-9-24(17)22-15/h2-10H,11H2,1H3,(H,19,21,25).
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 974414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).