N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide

C17H19F2N3O — CID 56552988

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide
SMILESO=C(Nc1cc(CC2CCCCC2)[nH]n1)c1cc(F)ccc1F
InChIInChI=1S/C17H19F2N3O/c18-12-6-7-15(19)14(9-12)17(23)20-16-10-13(21-22-16)8-11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H2,20,21,22,23)
InChIKeyJUZLYWQFNDENTJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.06
Rot. Bonds4

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide (PubChem CID 56552988) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide
PubChem CID56552988
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide
SMILESO=C(Nc1cc(CC2CCCCC2)[nH]n1)c1cc(F)ccc1F
InChIInChI=1S/C17H19F2N3O/c18-12-6-7-15(19)14(9-12)17(23)20-16-10-13(21-22-16)8-11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H2,20,21,22,23)
InChIKeyJUZLYWQFNDENTJ-UHFFFAOYSA-N
XLogP4.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide
CID 55863420
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide
CID 126792996
N-[4-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-4-oxobutyl]-4-fluorobenzamide
CID 56553027
5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 126779463
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56826864
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 56552832
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 127277358
N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
CID 112697504
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 56553284
2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 56552360

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide (CID 56552988) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide is O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1cc(F)ccc1F.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide?
The InChIKey is JUZLYWQFNDENTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c18-12-6-7-15(19)14(9-12)17(23)20-16-10-13(21-22-16)8-11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H2,20,21,22,23).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide has a molecular weight of 319.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 56552988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).