N-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C15H13ClN4O2 — CID 53179891

IUPACN-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)n3nccc3n2)cc1Cl
InChIInChI=1S/C15H13ClN4O2/c1-9-7-12(19-14-5-6-17-20(9)14)15(21)18-10-3-4-13(22-2)11(16)8-10/h3-8H,1-2H3,(H,18,21)
InChIKeyQCNUSTTWYQVUTR-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.95
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53179891) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53179891
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)n3nccc3n2)cc1Cl
InChIInChI=1S/C15H13ClN4O2/c1-9-7-12(19-14-5-6-17-20(9)14)15(21)18-10-3-4-13(22-2)11(16)8-10/h3-8H,1-2H3,(H,18,21)
InChIKeyQCNUSTTWYQVUTR-UHFFFAOYSA-N
XLogP2.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53179891) is N-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cc(C)n3nccc3n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is QCNUSTTWYQVUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-9-7-12(19-14-5-6-17-20(9)14)15(21)18-10-3-4-13(22-2)11(16)8-10/h3-8H,1-2H3,(H,18,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53179891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).