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

C16H18F2N4O — CID 4768384

IUPACN-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C16H18F2N4O/c17-14(18)13-7-12(9-5-6-9)21-15-11(8-19-22(13)15)16(23)20-10-3-1-2-4-10/h7-10,14H,1-6H2,(H,20,23)
InChIKeyUUZBFKIKLYROFE-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.22
Rot. Bonds4

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

N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4768384) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4768384
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC NameN-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C16H18F2N4O/c17-14(18)13-7-12(9-5-6-9)21-15-11(8-19-22(13)15)16(23)20-10-3-1-2-4-10/h7-10,14H,1-6H2,(H,20,23)
InChIKeyUUZBFKIKLYROFE-UHFFFAOYSA-N
XLogP3.22
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.22
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
N-cyclopentyl-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459835
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
CID 1256831
5-cyclopropyl-7-(difluoromethyl)-N-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4051025
5-cyclopropyl-7-(difluoromethyl)-N-(2,5-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768985
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
5-cyclopropyl-7-(difluoromethyl)-N-(4-fluoro-3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020711
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4768384) is N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UUZBFKIKLYROFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c17-14(18)13-7-12(9-5-6-9)21-15-11(8-19-22(13)15)16(23)20-10-3-1-2-4-10/h7-10,14H,1-6H2,(H,20,23).
What are the key properties of N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 320.34 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 N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4768384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).