4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide

C20H27N3O2 — CID 122563847

IUPAC4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide
SMILESCCn1nc(C)c(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)c1C
InChIInChI=1S/C20H27N3O2/c1-4-23-14(3)19(13(2)22-23)15-5-7-16(8-6-15)20(25)21-17-9-11-18(24)12-10-17/h5-8,17-18,24H,4,9-12H2,1-3H3,(H,21,25)
InChIKeyOYXWJMOVMKQAKL-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.22
Rot. Bonds4

About 4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide

4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide (PubChem CID 122563847) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide
PubChem CID122563847
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide
SMILESCCn1nc(C)c(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)c1C
InChIInChI=1S/C20H27N3O2/c1-4-23-14(3)19(13(2)22-23)15-5-7-16(8-6-15)20(25)21-17-9-11-18(24)12-10-17/h5-8,17-18,24H,4,9-12H2,1-3H3,(H,21,25)
InChIKeyOYXWJMOVMKQAKL-UHFFFAOYSA-N
XLogP3.22
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide
CID 46334938
2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide
CID 78767376
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
N-cyclobutyl-4-methylbenzamide
CID 23530676
4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
CID 112816364
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 43445175
N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 125159915
N-(1,1-dioxothiolan-3-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 91639012
N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
CID 122558965
4-cyclohexyl-N-(4-hydroxycyclohexyl)benzamide
CID 78790783

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide?
The IUPAC name of 4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide (CID 122563847) is 4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide?
The canonical SMILES for 4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide is CCn1nc(C)c(-c2ccc(C(=O)NC3CCC(O)CC3)cc2)c1C.
What is the InChIKey of 4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide?
The InChIKey is OYXWJMOVMKQAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-23-14(3)19(13(2)22-23)15-5-7-16(8-6-15)20(25)21-17-9-11-18(24)12-10-17/h5-8,17-18,24H,4,9-12H2,1-3H3,(H,21,25).
What are the key properties of 4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide?
4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide has a molecular weight of 341.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 122563847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).