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

C16H15ClN4O2 — CID 4573812

IUPACN-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1Cl
InChIInChI=1S/C16H15ClN4O2/c1-9-6-10(2)21-15(19-9)12(8-18-21)16(22)20-11-4-5-14(23-3)13(17)7-11/h4-8H,1-3H3,(H,20,22)
InChIKeyBMMBPKFMILAVTI-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.26
Rot. Bonds3

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

N-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4573812) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4573812
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1Cl
InChIInChI=1S/C16H15ClN4O2/c1-9-6-10(2)21-15(19-9)12(8-18-21)16(22)20-11-4-5-14(23-3)13(17)7-11/h4-8H,1-3H3,(H,20,22)
InChIKeyBMMBPKFMILAVTI-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-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4573812) is N-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BMMBPKFMILAVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-9-6-10(2)21-15(19-9)12(8-18-21)16(22)20-11-4-5-14(23-3)13(17)7-11/h4-8H,1-3H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-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-(3-chloro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4573812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).