N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C26H31N3O2 — CID 55532623

IUPACN-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(NCCCOC1CCCCC1)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C26H31N3O2/c30-26(27-16-7-19-31-23-8-2-1-3-9-23)25-11-5-4-10-24(25)22-14-12-21(13-15-22)20-29-18-6-17-28-29/h4-6,10-15,17-18,23H,1-3,7-9,16,19-20H2,(H,27,30)
InChIKeyWJJAKLPIHCPMOA-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.07
Rot. Bonds9

About N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 55532623) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID55532623
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(NCCCOC1CCCCC1)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C26H31N3O2/c30-26(27-16-7-19-31-23-8-2-1-3-9-23)25-11-5-4-10-24(25)22-14-12-21(13-15-22)20-29-18-6-17-28-29/h4-6,10-15,17-18,23H,1-3,7-9,16,19-20H2,(H,27,30)
InChIKeyWJJAKLPIHCPMOA-UHFFFAOYSA-N
XLogP5.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 47090894
N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74240570
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 34186155
N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24681023
1-(3-cyclopentyloxypropyl)-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111849552
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 37216571
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole
CID 141170968
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46491033
ethyl 1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-3-carboxylate
CID 42942112
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 55532623) is N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is O=C(NCCCOC1CCCCC1)c1ccccc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is WJJAKLPIHCPMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c30-26(27-16-7-19-31-23-8-2-1-3-9-23)25-11-5-4-10-24(25)22-14-12-21(13-15-22)20-29-18-6-17-28-29/h4-6,10-15,17-18,23H,1-3,7-9,16,19-20H2,(H,27,30).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 417.55 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55532623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).