N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide

C19H25N3O2 — CID 74240489

IUPACN-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide
SMILESO=C(NCCCOC1CCCCC1)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C19H25N3O2/c23-19(20-10-5-11-24-18-8-2-1-3-9-18)16-7-4-6-15(12-16)17-13-21-22-14-17/h4,6-7,12-14,18H,1-3,5,8-11H2,(H,20,23)(H,21,22)
InChIKeyJJASKDPBBIDDBH-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.55
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide

N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide (PubChem CID 74240489) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide
PubChem CID74240489
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide
SMILESO=C(NCCCOC1CCCCC1)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C19H25N3O2/c23-19(20-10-5-11-24-18-8-2-1-3-9-18)16-7-4-6-15(12-16)17-13-21-22-14-17/h4,6-7,12-14,18H,1-3,5,8-11H2,(H,20,23)(H,21,22)
InChIKeyJJASKDPBBIDDBH-UHFFFAOYSA-N
XLogP3.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide
CID 118770666
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31719960
N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide
CID 110486658
6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 62233137
N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 74233551
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539
N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
CID 77084205
3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110486697
2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071
N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 24516413

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide (CID 74240489) is N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide is O=C(NCCCOC1CCCCC1)c1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide?
The InChIKey is JJASKDPBBIDDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-19(20-10-5-11-24-18-8-2-1-3-9-18)16-7-4-6-15(12-16)17-13-21-22-14-17/h4,6-7,12-14,18H,1-3,5,8-11H2,(H,20,23)(H,21,22).
What are the key properties of N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide?
N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide has a molecular weight of 327.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 74240489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).