2-(4-butan-2-ylpyrazol-1-yl)ethanol

C9H16N2O — CID 146424198

IUPAC2-(4-butan-2-ylpyrazol-1-yl)ethanol
SMILESCCC(C)c1cnn(CCO)c1
InChIInChI=1S/C9H16N2O/c1-3-8(2)9-6-10-11(7-9)4-5-12/h6-8,12H,3-5H2,1-2H3
InChIKeyGBUHWASDLMITNZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.39
Rot. Bonds4

About 2-(4-butan-2-ylpyrazol-1-yl)ethanol

2-(4-butan-2-ylpyrazol-1-yl)ethanol (PubChem CID 146424198) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(4-butan-2-ylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-butan-2-ylpyrazol-1-yl)ethanol
PubChem CID146424198
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(4-butan-2-ylpyrazol-1-yl)ethanol
SMILESCCC(C)c1cnn(CCO)c1
InChIInChI=1S/C9H16N2O/c1-3-8(2)9-6-10-11(7-9)4-5-12/h6-8,12H,3-5H2,1-2H3
InChIKeyGBUHWASDLMITNZ-UHFFFAOYSA-N
XLogP1.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-1-propylpyrazole
CID 130194925
2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
CID 115922691
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
2-(4-chloropyrazol-1-yl)ethanol
CID 7172186
2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride
CID 126964216
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
N-ethyl-3-(1-propylpyrazol-4-yl)butan-1-amine
CID 81018561
3-[4-(difluoromethyl)pyrazol-1-yl]propan-1-ol
CID 134820997
ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol
CID 171834591
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
4-amino-3-(1-ethylpyrazol-4-yl)pentan-1-ol
CID 103570897

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(4-butan-2-ylpyrazol-1-yl)ethanol (CID 146424198) is 2-(4-butan-2-ylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-butan-2-ylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4-butan-2-ylpyrazol-1-yl)ethanol is CCC(C)c1cnn(CCO)c1.
What is the InChIKey of 2-(4-butan-2-ylpyrazol-1-yl)ethanol?
The InChIKey is GBUHWASDLMITNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-8(2)9-6-10-11(7-9)4-5-12/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylpyrazol-1-yl)ethanol?
2-(4-butan-2-ylpyrazol-1-yl)ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpyrazol-1-yl)ethanol is sourced from PubChem (CID 146424198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).