7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H16F2N4O — CID 19416183

IUPAC7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)Nc3cccc(C)c3C)c2n1
InChIInChI=1S/C17H16F2N4O/c1-9-5-4-6-13(11(9)3)22-17(24)12-8-20-23-14(15(18)19)7-10(2)21-16(12)23/h4-8,15H,1-3H3,(H,22,24)
InChIKeyOPQWXGRJBXRPAF-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.84
Rot. Bonds3

About 7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416183) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19416183
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)Nc3cccc(C)c3C)c2n1
InChIInChI=1S/C17H16F2N4O/c1-9-5-4-6-13(11(9)3)22-17(24)12-8-20-23-14(15(18)19)7-10(2)21-16(12)23/h4-8,15H,1-3H3,(H,22,24)
InChIKeyOPQWXGRJBXRPAF-UHFFFAOYSA-N
XLogP3.84
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416189
7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416294
7-(difluoromethyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416192
7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969760
N-(5-chloro-2-hydroxyphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416210
7-(difluoromethyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447131
7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995343
N-(4-cyano-1-phenylpyrazol-5-yl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447094
N-(5-chloro-2-methylphenyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995374
7-(difluoromethyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416397
N-[2-(difluoromethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440692
N-[4-(difluoromethoxy)-2-methylphenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447251

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416183) is 7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)F)n2ncc(C(=O)Nc3cccc(C)c3C)c2n1.
What is the InChIKey of 7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OPQWXGRJBXRPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-9-5-4-6-13(11(9)3)22-17(24)12-8-20-23-14(15(18)19)7-10(2)21-16(12)23/h4-8,15H,1-3H3,(H,22,24).
What are the key properties of 7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).