5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide

C16H21N3O2 — CID 78854292

IUPAC5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCO)cnn1-c1ccc(C)cc1
InChIInChI=1S/C16H21N3O2/c1-3-15-14(16(21)17-9-4-10-20)11-18-19(15)13-7-5-12(2)6-8-13/h5-8,11,20H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyIPMMEMJHOHKCDC-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.86
Rot. Bonds6

About 5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide

5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 78854292) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID78854292
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCO)cnn1-c1ccc(C)cc1
InChIInChI=1S/C16H21N3O2/c1-3-15-14(16(21)17-9-4-10-20)11-18-19(15)13-7-5-12(2)6-8-13/h5-8,11,20H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyIPMMEMJHOHKCDC-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
CID 134034900
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55631633
5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide
CID 30837416
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31889145
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435
5-ethyl-N-(4-methylcyclohexyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46582332
3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883
5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 55576435
1-(4-chlorophenyl)-N-(3-hydroxypropyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 78854387
5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
CID 60545454

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide (CID 78854292) is 5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCCCO)cnn1-c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is IPMMEMJHOHKCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-15-14(16(21)17-9-4-10-20)11-18-19(15)13-7-5-12(2)6-8-13/h5-8,11,20H,3-4,9-10H2,1-2H3,(H,17,21).
What are the key properties of 5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide?
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78854292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).