5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide

C17H20FN3O — CID 24595329

IUPAC5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FN3O/c1-11-2-8-14(9-3-11)20-17(22)15-10-19-21-16(15)12-4-6-13(18)7-5-12/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyWAKVHKKZHYVYML-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.52
Rot. Bonds3

About 5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide (PubChem CID 24595329) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
PubChem CID24595329
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC Name5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FN3O/c1-11-2-8-14(9-3-11)20-17(22)15-10-19-21-16(15)12-4-6-13(18)7-5-12/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyWAKVHKKZHYVYML-UHFFFAOYSA-N
XLogP3.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824219
N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78835476
N-(4-aminocyclohexyl)-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119475103
5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 16613697
N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 60511818
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
N-cyclopropyl-5-(2-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide
CID 166264433
5-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-pyrazole-4-carboxamide
CID 24611098
N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24638552
ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 17409577
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide
CID 71824533

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide (CID 24595329) is 5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide is CC1CCC(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide?
The InChIKey is WAKVHKKZHYVYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11-2-8-14(9-3-11)20-17(22)15-10-19-21-16(15)12-4-6-13(18)7-5-12/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide has a molecular weight of 301.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24595329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).