5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H12F4N4O — CID 4768985

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C17H12F4N4O/c18-9-3-4-11(19)13(5-9)24-17(26)10-7-22-25-14(15(20)21)6-12(8-1-2-8)23-16(10)25/h3-8,15H,1-2H2,(H,24,26)
InChIKeyJQQZTVFUTNYRPG-UHFFFAOYSA-N
MW364.30 g/mol
LogP4.07
Rot. Bonds4

About 5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4768985) has the molecular formula C17H12F4N4O and a molecular weight of 364.30 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4768985
Molecular FormulaC17H12F4N4O
Molecular Weight364.30 g/mol
Exact Mass364.09
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C17H12F4N4O/c18-9-3-4-11(19)13(5-9)24-17(26)10-7-22-25-14(15(20)21)6-12(8-1-2-8)23-16(10)25/h3-8,15H,1-2H2,(H,24,26)
InChIKeyJQQZTVFUTNYRPG-UHFFFAOYSA-N
XLogP4.07
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020431
5-cyclopropyl-7-(difluoromethyl)-N-(4-fluoro-3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020711
5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4051025
N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768384
7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995343
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
CID 1256831
5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4748611
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020541
ethyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 843507
N-(1-adamantylmethyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769268
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 51694738
7-(difluoromethyl)-5-(4-fluorophenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459915

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4768985) is 5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(F)ccc1F)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JQQZTVFUTNYRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O/c18-9-3-4-11(19)13(5-9)24-17(26)10-7-22-25-14(15(20)21)6-12(8-1-2-8)23-16(10)25/h3-8,15H,1-2H2,(H,24,26).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 364.30 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4768985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).