1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol

C15H28N2O — CID 82697842

IUPAC1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol
SMILESCCc1nn(CCC(C)(C)C)c(CC)c1C(C)O
InChIInChI=1S/C15H28N2O/c1-7-12-14(11(3)18)13(8-2)17(16-12)10-9-15(4,5)6/h11,18H,7-10H2,1-6H3
InChIKeyFBNYKBFDVKNBEE-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.50
Rot. Bonds5

About 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol

1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol (PubChem CID 82697842) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol
PubChem CID82697842
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol
SMILESCCc1nn(CCC(C)(C)C)c(CC)c1C(C)O
InChIInChI=1S/C15H28N2O/c1-7-12-14(11(3)18)13(8-2)17(16-12)10-9-15(4,5)6/h11,18H,7-10H2,1-6H3
InChIKeyFBNYKBFDVKNBEE-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol
CID 82697397
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697460
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol
CID 82698165
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 82700574
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-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-amine
CID 103037060
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole-4-sulfonyl chloride
CID 82694926
1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
CID 82698540
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanamine
CID 82697450
1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]ethanol
CID 82698387
1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine
CID 106730619

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol (CID 82697842) is 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol is CCc1nn(CCC(C)(C)C)c(CC)c1C(C)O.
What is the InChIKey of 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol?
The InChIKey is FBNYKBFDVKNBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-7-12-14(11(3)18)13(8-2)17(16-12)10-9-15(4,5)6/h11,18H,7-10H2,1-6H3.
What are the key properties of 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol?
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol has a molecular weight of 252.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 82697842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).