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

C16H15ClN4O2 — CID 53040989

IUPACN-(5-chloro-2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(C)n2nc(C)cc2n1
InChIInChI=1S/C16H15ClN4O2/c1-9-6-15-18-13(7-10(2)21(15)20-9)16(22)19-12-8-11(17)4-5-14(12)23-3/h4-8H,1-3H3,(H,19,22)
InChIKeyHYWNDKZKKOSQSM-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.26
Rot. Bonds3

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

N-(5-chloro-2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040989) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040989
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(C)n2nc(C)cc2n1
InChIInChI=1S/C16H15ClN4O2/c1-9-6-15-18-13(7-10(2)21(15)20-9)16(22)19-12-8-11(17)4-5-14(12)23-3/h4-8H,1-3H3,(H,19,22)
InChIKeyHYWNDKZKKOSQSM-UHFFFAOYSA-N
XLogP3.26
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.26
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)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040989) is N-(5-chloro-2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(C)n2nc(C)cc2n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is HYWNDKZKKOSQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-9-6-15-18-13(7-10(2)21(15)20-9)16(22)19-12-8-11(17)4-5-14(12)23-3/h4-8H,1-3H3,(H,19,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 330.78 g/mol, XLogP of 3.26, 3 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)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).