7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H15F3N4O — CID 995343

IUPAC7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H15F3N4O/c1-12-7-8-14(22)9-16(12)27-21(29)15-11-25-28-18(19(23)24)10-17(26-20(15)28)13-5-3-2-4-6-13/h2-11,19H,1H3,(H,27,29)
InChIKeyNAWCLUKZOSXLHK-UHFFFAOYSA-N
MW396.37 g/mol
LogP5.03
Rot. Bonds4

About 7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 995343) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID995343
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H15F3N4O/c1-12-7-8-14(22)9-16(12)27-21(29)15-11-25-28-18(19(23)24)10-17(26-20(15)28)13-5-3-2-4-6-13/h2-11,19H,1H3,(H,27,29)
InChIKeyNAWCLUKZOSXLHK-UHFFFAOYSA-N
XLogP5.03
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995374
7-(difluoromethyl)-5-(4-fluorophenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459915
N-[2-(difluoromethoxy)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447241
N-[4-(difluoromethoxy)-2-methylphenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447251
7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459852
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
N-(5-carbamoyl-1-methylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4867890
7-(difluoromethyl)-N-(3-methylbutyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3596557
7-(difluoromethyl)-N-(3-hydroxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447322
7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416294
7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460100
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 995343) is 7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(F)cc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NAWCLUKZOSXLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c1-12-7-8-14(22)9-16(12)27-21(29)15-11-25-28-18(19(23)24)10-17(26-20(15)28)13-5-3-2-4-6-13/h2-11,19H,1H3,(H,27,29).
What are the key properties of 7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 995343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).