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

C17H16F2N4O — CID 19416294

IUPAC7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)c1
InChIInChI=1S/C17H16F2N4O/c1-9-4-5-10(2)13(6-9)22-17(24)12-8-20-23-14(15(18)19)7-11(3)21-16(12)23/h4-8,15H,1-3H3,(H,22,24)
InChIKeyNJZGAJKMTDNLGV-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.84
Rot. Bonds3

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

7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416294) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19416294
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)c1
InChIInChI=1S/C17H16F2N4O/c1-9-4-5-10(2)13(6-9)22-17(24)12-8-20-23-14(15(18)19)7-11(3)21-16(12)23/h4-8,15H,1-3H3,(H,22,24)
InChIKeyNJZGAJKMTDNLGV-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

7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416183
N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416189
7-(difluoromethyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416192
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
7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969760
N-(5-chloro-2-methylphenyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995374
N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457731
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447160
N-(4-cyano-1-phenylpyrazol-5-yl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447094
7-(difluoromethyl)-5-methyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447129

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416294) is 7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(C)c(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)c1.
What is the InChIKey of 7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NJZGAJKMTDNLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-9-4-5-10(2)13(6-9)22-17(24)12-8-20-23-14(15(18)19)7-11(3)21-16(12)23/h4-8,15H,1-3H3,(H,22,24).
What are the key properties of 7-(difluoromethyl)-N-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(2,5-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-(2,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).