N-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H17ClN4O2 — CID 1103640

IUPACN-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1
InChIInChI=1S/C21H17ClN4O2/c1-13-10-16(14-6-4-3-5-7-14)23-20-12-18(25-26(13)20)21(27)24-17-11-15(22)8-9-19(17)28-2/h3-12H,1-2H3,(H,24,27)
InChIKeyXINABFQDSABBAI-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.62
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1103640) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1103640
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1
InChIInChI=1S/C21H17ClN4O2/c1-13-10-16(14-6-4-3-5-7-14)23-20-12-18(25-26(13)20)21(27)24-17-11-15(22)8-9-19(17)28-2/h3-12H,1-2H3,(H,24,27)
InChIKeyXINABFQDSABBAI-UHFFFAOYSA-N
XLogP4.62
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1103640) is N-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XINABFQDSABBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-13-10-16(14-6-4-3-5-7-14)23-20-12-18(25-26(13)20)21(27)24-17-11-15(22)8-9-19(17)28-2/h3-12H,1-2H3,(H,24,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1103640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).