N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H23F3N4O — CID 19459845

IUPACN-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C24H23F3N4O/c25-17-3-1-16(2-4-17)19-8-20(21(26)27)31-22(29-19)18(12-28-31)23(32)30-24-9-13-5-14(10-24)7-15(6-13)11-24/h1-4,8,12-15,21H,5-7,9-11H2,(H,30,32)
InChIKeyBGRQUZSZMHCENH-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.17
Rot. Bonds4

About N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19459845) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19459845
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC NameN-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C24H23F3N4O/c25-17-3-1-16(2-4-17)19-8-20(21(26)27)31-22(29-19)18(12-28-31)23(32)30-24-9-13-5-14(10-24)7-15(6-13)11-24/h1-4,8,12-15,21H,5-7,9-11H2,(H,30,32)
InChIKeyBGRQUZSZMHCENH-UHFFFAOYSA-N
XLogP5.17
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantylmethyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459987
N-cyclopentyl-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459835
7-(difluoromethyl)-N-ethyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460100
7-(difluoromethyl)-5-(4-fluorophenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459915
7-(difluoromethyl)-5-(4-fluorophenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459854
azepan-1-yl-[7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 4772783
7-(difluoromethyl)-5-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459852
N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4917372
7-(difluoromethyl)-5-(4-fluorophenyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459938
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409
7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995343
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 51389973

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19459845) is N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BGRQUZSZMHCENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O/c25-17-3-1-16(2-4-17)19-8-20(21(26)27)31-22(29-19)18(12-28-31)23(32)30-24-9-13-5-14(10-24)7-15(6-13)11-24/h1-4,8,12-15,21H,5-7,9-11H2,(H,30,32).
What are the key properties of N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 440.47 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19459845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).