1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol

C14H26N2O — CID 82698165

IUPAC1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol
SMILESCCCCCn1nc(CC)c(C(C)O)c1CC
InChIInChI=1S/C14H26N2O/c1-5-8-9-10-16-13(7-3)14(11(4)17)12(6-2)15-16/h11,17H,5-10H2,1-4H3
InChIKeyYWGRQPGRVAXQQB-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.25
Rot. Bonds7

About 1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol

1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol (PubChem CID 82698165) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol
PubChem CID82698165
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol
SMILESCCCCCn1nc(CC)c(C(C)O)c1CC
InChIInChI=1S/C14H26N2O/c1-5-8-9-10-16-13(7-3)14(11(4)17)12(6-2)15-16/h11,17H,5-10H2,1-4H3
InChIKeyYWGRQPGRVAXQQB-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanamine
CID 82697450
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol
CID 82697842
1-butyl-4-(1-chloroethyl)-3,5-diethylpyrazole
CID 82699491
1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol
CID 82697397
1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol
CID 82697298
1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol
CID 82698546
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine
CID 82696919
1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine
CID 83169070
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine
CID 113437167
1-[1-(2-butoxyethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82698129
1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
CID 82698540
1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]ethanol
CID 82698387

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol (CID 82698165) is 1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol is CCCCCn1nc(CC)c(C(C)O)c1CC.
What is the InChIKey of 1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol?
The InChIKey is YWGRQPGRVAXQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-8-9-10-16-13(7-3)14(11(4)17)12(6-2)15-16/h11,17H,5-10H2,1-4H3.
What are the key properties of 1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol?
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol has a molecular weight of 238.37 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol is sourced from PubChem (CID 82698165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).