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

C17H20F2N4O — CID 4769220

IUPACN-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C17H20F2N4O/c18-15(19)14-8-13(10-6-7-10)22-16-12(9-20-23(14)16)17(24)21-11-4-2-1-3-5-11/h8-11,15H,1-7H2,(H,21,24)
InChIKeyXDXGWPAANPQOIF-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.61
Rot. Bonds4

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

N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4769220) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4769220
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC NameN-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C17H20F2N4O/c18-15(19)14-8-13(10-6-7-10)22-16-12(9-20-23(14)16)17(24)21-11-4-2-1-3-5-11/h8-11,15H,1-7H2,(H,21,24)
InChIKeyXDXGWPAANPQOIF-UHFFFAOYSA-N
XLogP3.61
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4769220) is N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCCCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XDXGWPAANPQOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c18-15(19)14-8-13(10-6-7-10)22-16-12(9-20-23(14)16)17(24)21-11-4-2-1-3-5-11/h8-11,15H,1-7H2,(H,21,24).
What are the key properties of N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4769220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).