N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide

C17H20FN3O — CID 119036886

IUPACN-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)Nc2cn[nH]c2-c2ccccc2F)C1
InChIInChI=1S/C17H20FN3O/c1-11-5-4-6-12(9-11)17(22)20-15-10-19-21-16(15)13-7-2-3-8-14(13)18/h2-3,7-8,10-12H,4-6,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyCHOFGFJSKMKTLN-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.98
Rot. Bonds3

About N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide

N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide (PubChem CID 119036886) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide
PubChem CID119036886
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC NameN-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)Nc2cn[nH]c2-c2ccccc2F)C1
InChIInChI=1S/C17H20FN3O/c1-11-5-4-6-12(9-11)17(22)20-15-10-19-21-16(15)13-7-2-3-8-14(13)18/h2-3,7-8,10-12H,4-6,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyCHOFGFJSKMKTLN-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide (CID 119036886) is N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide is CC1CCCC(C(=O)Nc2cn[nH]c2-c2ccccc2F)C1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is CHOFGFJSKMKTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11-5-4-6-12(9-11)17(22)20-15-10-19-21-16(15)13-7-2-3-8-14(13)18/h2-3,7-8,10-12H,4-6,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide?
N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 301.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 119036886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).