N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide

C16H18FN3O — CID 141275060

IUPACN-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cnn(-c2ccccc2F)c1)C1CCCCC1
InChIInChI=1S/C16H18FN3O/c17-14-8-4-5-9-15(14)20-11-13(10-18-20)19-16(21)12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,19,21)
InChIKeyAXYKWASNBOVSSU-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.53
Rot. Bonds3

About N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide

N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide (PubChem CID 141275060) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
PubChem CID141275060
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cnn(-c2ccccc2F)c1)C1CCCCC1
InChIInChI=1S/C16H18FN3O/c17-14-8-4-5-9-15(14)20-11-13(10-18-20)19-16(21)12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,19,21)
InChIKeyAXYKWASNBOVSSU-UHFFFAOYSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide
CID 46913607
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 120794110
(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
CID 97053576
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]oxolane-2-carboxamide;hydrochloride
CID 120794109
N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 71856412
3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397117
(3R,4S)-N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933951
5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 99821177
1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 155949446
(2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide
CID 119329634
1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[1-(2-fluorophenyl)pyrazol-4-yl]urea
CID 86770951
3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119776547

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide (CID 141275060) is N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide is O=C(Nc1cnn(-c2ccccc2F)c1)C1CCCCC1.
What is the InChIKey of N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide?
The InChIKey is AXYKWASNBOVSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-14-8-4-5-9-15(14)20-11-13(10-18-20)19-16(21)12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,19,21).
What are the key properties of N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide?
N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 141275060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).