1-(3,5-diethylpyrazol-1-yl)butan-2-ol

C11H20N2O — CID 82694356

IUPAC1-(3,5-diethylpyrazol-1-yl)butan-2-ol
SMILESCCc1cc(CC)n(CC(O)CC)n1
InChIInChI=1S/C11H20N2O/c1-4-9-7-10(5-2)13(12-9)8-11(14)6-3/h7,11,14H,4-6,8H2,1-3H3
InChIKeyASEHNFGRSFETLR-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.78
Rot. Bonds5

About 1-(3,5-diethylpyrazol-1-yl)butan-2-ol

1-(3,5-diethylpyrazol-1-yl)butan-2-ol (PubChem CID 82694356) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(3,5-diethylpyrazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3,5-diethylpyrazol-1-yl)butan-2-ol
PubChem CID82694356
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(3,5-diethylpyrazol-1-yl)butan-2-ol
SMILESCCc1cc(CC)n(CC(O)CC)n1
InChIInChI=1S/C11H20N2O/c1-4-9-7-10(5-2)13(12-9)8-11(14)6-3/h7,11,14H,4-6,8H2,1-3H3
InChIKeyASEHNFGRSFETLR-UHFFFAOYSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-diethylpyrazol-1-yl)propan-2-ol
CID 82694148
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
CID 82693106
3-(3,5-diethylpyrazol-1-yl)-2-methylpropane-1-thiol
CID 82700558
3-(3,5-diethylpyrazol-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 82700280
3,5-diethyl-1-propylpyrazole
CID 82699697
2-[(3,5-diethylpyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370301
methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate
CID 82694733
3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid
CID 82692790
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol
CID 178165955

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diethylpyrazol-1-yl)butan-2-ol?
The IUPAC name of 1-(3,5-diethylpyrazol-1-yl)butan-2-ol (CID 82694356) is 1-(3,5-diethylpyrazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-(3,5-diethylpyrazol-1-yl)butan-2-ol?
The canonical SMILES for 1-(3,5-diethylpyrazol-1-yl)butan-2-ol is CCc1cc(CC)n(CC(O)CC)n1.
What is the InChIKey of 1-(3,5-diethylpyrazol-1-yl)butan-2-ol?
The InChIKey is ASEHNFGRSFETLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-9-7-10(5-2)13(12-9)8-11(14)6-3/h7,11,14H,4-6,8H2,1-3H3.
What are the key properties of 1-(3,5-diethylpyrazol-1-yl)butan-2-ol?
1-(3,5-diethylpyrazol-1-yl)butan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethylpyrazol-1-yl)butan-2-ol is sourced from PubChem (CID 82694356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).