N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H16N6O — CID 146125081

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cnn4cccnc34)cc2)n1
InChIInChI=1S/C18H16N6O/c1-12-10-13(2)24(22-12)15-6-4-14(5-7-15)21-18(25)16-11-20-23-9-3-8-19-17(16)23/h3-11H,1-2H3,(H,21,25)
InChIKeyXLMXSJSDYJEUNW-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.78
Rot. Bonds3

About N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146125081) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146125081
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cnn4cccnc34)cc2)n1
InChIInChI=1S/C18H16N6O/c1-12-10-13(2)24(22-12)15-6-4-14(5-7-15)21-18(25)16-11-20-23-9-3-8-19-17(16)23/h3-11H,1-2H3,(H,21,25)
InChIKeyXLMXSJSDYJEUNW-UHFFFAOYSA-N
XLogP2.78
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146123159
N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414447
4-(3,5-dimethylpyrazol-1-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)benzamide
CID 70706606
N-(3-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151653
N-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497680
dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate
CID 5112652
N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251288
N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554926
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N-[3-(3-methoxy-4-methylphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90275543

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146125081) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)c3cnn4cccnc34)cc2)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XLMXSJSDYJEUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12-10-13(2)24(22-12)15-6-4-14(5-7-15)21-18(25)16-11-20-23-9-3-8-19-17(16)23/h3-11H,1-2H3,(H,21,25).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146125081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).