5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide

C18H22ClN3O2 — CID 71824281

IUPAC5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(-c2[nH]ncc2C(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C18H22ClN3O2/c1-2-24-16-9-8-12(10-15(16)19)17-14(11-20-22-17)18(23)21-13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,20,22)(H,21,23)
InChIKeyPZYKAMSVGDJMIL-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.19
Rot. Bonds5

About 5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide

5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide (PubChem CID 71824281) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide
PubChem CID71824281
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(-c2[nH]ncc2C(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C18H22ClN3O2/c1-2-24-16-9-8-12(10-15(16)19)17-14(11-20-22-17)18(23)21-13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,20,22)(H,21,23)
InChIKeyPZYKAMSVGDJMIL-UHFFFAOYSA-N
XLogP4.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78835476
5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824226
5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795220
[5-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 71824855
5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide
CID 71824533
ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 17409577
5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 976021
N-(cyclohexylmethyl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824298
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(3-chloro-4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 91638168
[5-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 71824844
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide (CID 71824281) is 5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide is CCOc1ccc(-c2[nH]ncc2C(=O)NC2CCCCC2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide?
The InChIKey is PZYKAMSVGDJMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-2-24-16-9-8-12(10-15(16)19)17-14(11-20-22-17)18(23)21-13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide?
5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).