N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H15FN6O — CID 146125638

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cc4ncccn4n3)cc2F)n1
InChIInChI=1S/C18H15FN6O/c1-11-8-12(2)25(22-11)16-5-4-13(9-14(16)19)21-18(26)15-10-17-20-6-3-7-24(17)23-15/h3-10H,1-2H3,(H,21,26)
InChIKeyNYOFRGNWBGWGBZ-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.92
Rot. Bonds3

About N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 146125638) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID146125638
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cc4ncccn4n3)cc2F)n1
InChIInChI=1S/C18H15FN6O/c1-11-8-12(2)25(22-11)16-5-4-13(9-14(16)19)21-18(26)15-10-17-20-6-3-7-24(17)23-15/h3-10H,1-2H3,(H,21,26)
InChIKeyNYOFRGNWBGWGBZ-UHFFFAOYSA-N
XLogP2.92
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.92
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-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 51085319
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55891126
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55892665
N-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4775057
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 146153671
1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 167870149
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide
CID 111536844
1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide
CID 75470170
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551
methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate
CID 99134469

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 146125638) is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)c3cc4ncccn4n3)cc2F)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NYOFRGNWBGWGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c1-11-8-12(2)25(22-11)16-5-4-13(9-14(16)19)21-18(26)15-10-17-20-6-3-7-24(17)23-15/h3-10H,1-2H3,(H,21,26).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 350.36 g/mol, XLogP of 2.92, 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)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 146125638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).