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

C16H13F3N4O — CID 19460100

IUPAC7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C16H13F3N4O/c1-2-20-16(24)11-8-21-23-13(14(18)19)7-12(22-15(11)23)9-3-5-10(17)6-4-9/h3-8,14H,2H2,1H3,(H,20,24)
InChIKeyKWTSVGIQDNDCLD-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.22
Rot. Bonds4

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

7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19460100) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19460100
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C16H13F3N4O/c1-2-20-16(24)11-8-21-23-13(14(18)19)7-12(22-15(11)23)9-3-5-10(17)6-4-9/h3-8,14H,2H2,1H3,(H,20,24)
InChIKeyKWTSVGIQDNDCLD-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(difluoromethyl)-5-(4-fluorophenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459854
7-(difluoromethyl)-5-(4-fluorophenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459915
7-(difluoromethyl)-5-(4-fluorophenyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459938
N-(1-adamantylmethyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459987
7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459988
N-cyclopentyl-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459835
7-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1094025
7-(difluoromethyl)-N-(3-methylbutyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3596557
N-benzyl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3553852
7-(difluoromethyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460112
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460043
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-7-(difluoromethyl)-5-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441095

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19460100) is 7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KWTSVGIQDNDCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-2-20-16(24)11-8-21-23-13(14(18)19)7-12(22-15(11)23)9-3-5-10(17)6-4-9/h3-8,14H,2H2,1H3,(H,20,24).
What are the key properties of 7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19460100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).