1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol

C11H20N2O — CID 58099762

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol
SMILESCc1cc(C)n(CC(O)C(C)(C)C)n1
InChIInChI=1S/C11H20N2O/c1-8-6-9(2)13(12-8)7-10(14)11(3,4)5/h6,10,14H,7H2,1-5H3
InChIKeyRMEDPONWZHOSOJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.91
Rot. Bonds2

About 1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol (PubChem CID 58099762) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol
PubChem CID58099762
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol
SMILESCc1cc(C)n(CC(O)C(C)(C)C)n1
InChIInChI=1S/C11H20N2O/c1-8-6-9(2)13(12-8)7-10(14)11(3,4)5/h6,10,14H,7H2,1-5H3
InChIKeyRMEDPONWZHOSOJ-UHFFFAOYSA-N
XLogP1.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 96393
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CID 21014234
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-(3-methylbut-2-enyl)morpholine
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CID 89833798
1-Chloro-3-[2-(3-chloro-2-hydroxypropyl)-3,5-dimethylpyrazol-2-ium-1-yl]propan-2-ol
CID 4070029
1,3-Bis(3,5-dimethylpyrazol-1-yl)-2-propanol
CID 12603688
2-(3,5-Ditert-butylpyrazol-1-yl)ethanol
CID 43531678
1,3-Bis(3,5-ditert-butylpyrazol-1-yl)propan-2-ol
CID 68778773
4-[[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl](methyl)amino]-2-methylbutan-2-ol
CID 91832922
1-[(1S)-2-(3,5-diethylpyrazol-1-yl)-1-hydroxyethyl]cyclobutan-1-ol
CID 164637937

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol (CID 58099762) is 1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol is Cc1cc(C)n(CC(O)C(C)(C)C)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is RMEDPONWZHOSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-6-9(2)13(12-8)7-10(14)11(3,4)5/h6,10,14H,7H2,1-5H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 58099762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).