3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H15ClN4O — CID 118686641

IUPAC3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCNC(=O)c1nn2cccnc2c1-c1ccc(Cl)cc1C
InChIInChI=1S/C16H15ClN4O/c1-3-18-16(22)14-13(12-6-5-11(17)9-10(12)2)15-19-7-4-8-21(15)20-14/h4-9H,3H2,1-2H3,(H,18,22)
InChIKeyLROYSKFYZJNCQV-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.11
Rot. Bonds3

About 3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 118686641) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID118686641
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCNC(=O)c1nn2cccnc2c1-c1ccc(Cl)cc1C
InChIInChI=1S/C16H15ClN4O/c1-3-18-16(22)14-13(12-6-5-11(17)9-10(12)2)15-19-7-4-8-21(15)20-14/h4-9H,3H2,1-2H3,(H,18,22)
InChIKeyLROYSKFYZJNCQV-UHFFFAOYSA-N
XLogP3.11
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-fluorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118686646
3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclobutylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118686649
3-chloro-N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259509
3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462067
3-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256890
N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568768
3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4867160
ethyl 5-chloro-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682355
3-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5241864
3-bromo-N-(4-chloro-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462102
3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462119
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568623

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 118686641) is 3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCNC(=O)c1nn2cccnc2c1-c1ccc(Cl)cc1C.
What is the InChIKey of 3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LROYSKFYZJNCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-3-18-16(22)14-13(12-6-5-11(17)9-10(12)2)15-19-7-4-8-21(15)20-14/h4-9H,3H2,1-2H3,(H,18,22).
What are the key properties of 3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 314.78 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenyl)-N-ethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 118686641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).