7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H13F3N4O — CID 975267

IUPAC7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NCc3ccc(F)cc3)c2n1
InChIInChI=1S/C16H13F3N4O/c1-9-6-13(14(18)19)23-15(22-9)12(8-21-23)16(24)20-7-10-2-4-11(17)5-3-10/h2-6,8,14H,7H2,1H3,(H,20,24)
InChIKeyLMJXYGBRWFRVAY-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.04
Rot. Bonds4

About 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 975267) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID975267
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NCc3ccc(F)cc3)c2n1
InChIInChI=1S/C16H13F3N4O/c1-9-6-13(14(18)19)23-15(22-9)12(8-21-23)16(24)20-7-10-2-4-11(17)5-3-10/h2-6,8,14H,7H2,1H3,(H,20,24)
InChIKeyLMJXYGBRWFRVAY-UHFFFAOYSA-N
XLogP3.04
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
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N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
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4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704
N-{1-(4-Cyclopropyl-2-Fluorophenyl)-3-[1-(Propan-2-Yl)piperidin-4-Yl]-1h-Pyrazol-5-Yl}pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 68357894
Tyk2-IN-2
CID 129626433

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 975267) is 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccc(F)cc3)c2n1.
What is the InChIKey of 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LMJXYGBRWFRVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-9-6-13(14(18)19)23-15(22-9)12(8-21-23)16(24)20-7-10-2-4-11(17)5-3-10/h2-6,8,14H,7H2,1H3,(H,20,24).
What are the key properties of 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 975267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).