N-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H20F2N4O — CID 135889293

IUPACN-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnn2c1NC(=C1CC1)C=C2C(F)F
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/h8-9,11,15,22H,1-7H2,(H,21,24)
InChIKeyIUJQOWDONOIJRD-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.53
Rot. Bonds3

About N-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135889293) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is N-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135889293
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC NameN-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnn2c1NC(=C1CC1)C=C2C(F)F
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/h8-9,11,15,22H,1-7H2,(H,21,24)
InChIKeyIUJQOWDONOIJRD-UHFFFAOYSA-N
XLogP3.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135889293) is N-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCCCC1)c1cnn2c1NC(=C1CC1)C=C2C(F)F.
What is the InChIKey of N-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IUJQOWDONOIJRD-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/h8-9,11,15,22H,1-7H2,(H,21,24).
What are the key properties of N-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135889293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).