N-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide

C21H21FN4O — CID 169450427

IUPACN-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)Nc1cnn2ccc(-c3ccc(C4CCCCC4)cc3)nc12
InChIInChI=1S/C21H21FN4O/c1-14(22)21(27)25-19-13-23-26-12-11-18(24-20(19)26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,1-6H2,(H,25,27)
InChIKeyABFPVHJLBFDSGS-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.87
Rot. Bonds4

About N-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide

N-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide (PubChem CID 169450427) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide
PubChem CID169450427
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)Nc1cnn2ccc(-c3ccc(C4CCCCC4)cc3)nc12
InChIInChI=1S/C21H21FN4O/c1-14(22)21(27)25-19-13-23-26-12-11-18(24-20(19)26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,1-6H2,(H,25,27)
InChIKeyABFPVHJLBFDSGS-UHFFFAOYSA-N
XLogP4.87
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[5-(4-cyclohexylphenyl)-2-(1-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(fluoromethyl)azetidin-1-yl]methanone
CID 175831003
2-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]amino]-2-oxoacetic acid
CID 58386308
6-(4-cyclohexylphenyl)pyridine-3-carboxamide
CID 174740670
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
2-(4-cyclohexylbenzoyl)prop-2-enoic acid
CID 620989
5-(4-cyclohexylphenyl)pyridine-2-carboxylic acid
CID 63424090
6-(4-cyclobutylphenyl)pyridine-2-carboxamide
CID 144717319
N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 2498919
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid
CID 174448388
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyridine-3-carboxamide
CID 141332067
N-[5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide
CID 67330159

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide?
The IUPAC name of N-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide (CID 169450427) is N-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide.
What is the SMILES notation for N-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide?
The canonical SMILES for N-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide is C=C(F)C(=O)Nc1cnn2ccc(-c3ccc(C4CCCCC4)cc3)nc12.
What is the InChIKey of N-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide?
The InChIKey is ABFPVHJLBFDSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14(22)21(27)25-19-13-23-26-12-11-18(24-20(19)26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,1-6H2,(H,25,27).
What are the key properties of N-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide?
N-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide has a molecular weight of 364.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyclohexylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoroprop-2-enamide is sourced from PubChem (CID 169450427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).