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

C17H16F2N4O2 — CID 969760

IUPAC7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnn2c(C(F)F)cc(C)nc12
InChIInChI=1S/C17H16F2N4O2/c1-3-25-14-7-5-4-6-12(14)22-17(24)11-9-20-23-13(15(18)19)8-10(2)21-16(11)23/h4-9,15H,3H2,1-2H3,(H,22,24)
InChIKeyVEWYMKMUSQWMKT-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.63
Rot. Bonds5

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

7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 969760) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID969760
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnn2c(C(F)F)cc(C)nc12
InChIInChI=1S/C17H16F2N4O2/c1-3-25-14-7-5-4-6-12(14)22-17(24)11-9-20-23-13(15(18)19)8-10(2)21-16(11)23/h4-9,15H,3H2,1-2H3,(H,22,24)
InChIKeyVEWYMKMUSQWMKT-UHFFFAOYSA-N
XLogP3.63
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(difluoromethyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416192
7-(difluoromethyl)-N-(2,3-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416183
N-[2-(difluoromethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440692
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
N-[2-(difluoromethoxy)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447241
N-(5-chloro-2-hydroxyphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416210
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
ethyl 4-[2-[4-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate
CID 19447155
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416383
N-(2-ethoxyphenyl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 110704676

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 969760) is 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccccc1NC(=O)c1cnn2c(C(F)F)cc(C)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VEWYMKMUSQWMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-3-25-14-7-5-4-6-12(14)22-17(24)11-9-20-23-13(15(18)19)8-10(2)21-16(11)23/h4-9,15H,3H2,1-2H3,(H,22,24).
What are the key properties of 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 969760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).