5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H9F7N4O — CID 17020431

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C17H9F7N4O/c18-9-10(19)12(21)14(13(22)11(9)20)27-17(29)6-4-25-28-8(15(23)24)3-7(5-1-2-5)26-16(6)28/h3-5,15H,1-2H2,(H,27,29)
InChIKeyIQVRVYHLKYNKFH-UHFFFAOYSA-N
MW418.27 g/mol
LogP4.49
Rot. Bonds4

About 5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 17020431) has the molecular formula C17H9F7N4O and a molecular weight of 418.27 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID17020431
Molecular FormulaC17H9F7N4O
Molecular Weight418.27 g/mol
Exact Mass418.07
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C17H9F7N4O/c18-9-10(19)12(21)14(13(22)11(9)20)27-17(29)6-4-25-28-8(15(23)24)3-7(5-1-2-5)26-16(6)28/h3-5,15H,1-2H2,(H,27,29)
InChIKeyIQVRVYHLKYNKFH-UHFFFAOYSA-N
XLogP4.49
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768985
N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768384
5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4051025
5-cyclopropyl-7-(difluoromethyl)-N-(4-fluoro-3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020711
5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453911
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
CID 1256831
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)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4748611
5-cyclopropyl-7-(difluoromethyl)-N-(2,4-dimethyl-6-oxo-1-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4864752
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 17020431) is 5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IQVRVYHLKYNKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F7N4O/c18-9-10(19)12(21)14(13(22)11(9)20)27-17(29)6-4-25-28-8(15(23)24)3-7(5-1-2-5)26-16(6)28/h3-5,15H,1-2H2,(H,27,29).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 418.27 g/mol, XLogP of 4.49, 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-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 17020431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).