2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol

C11H20N2O — CID 115401007

IUPAC2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol
SMILESCCn1nccc1C(C)(O)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-6-13-9(7-8-12-13)11(5,14)10(2,3)4/h7-8,14H,6H2,1-5H3
InChIKeyPWNUYYKVSDGFPJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.16
Rot. Bonds2

About 2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol

2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol (PubChem CID 115401007) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol
PubChem CID115401007
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol
SMILESCCn1nccc1C(C)(O)C(C)(C)C
InChIInChI=1S/C11H20N2O/c1-6-13-9(7-8-12-13)11(5,14)10(2,3)4/h7-8,14H,6H2,1-5H3
InChIKeyPWNUYYKVSDGFPJ-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol
CID 130574269
4-(2-ethylpyrazol-3-yl)-4-methylpentan-2-ol
CID 64715983
2-(2-ethylpyrazol-3-yl)-2,2-difluoroacetic acid
CID 63977186
1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol
CID 114059360
3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol
CID 63974655
1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol
CID 114910961
4-(2-propylpyrazol-3-yl)heptan-4-ol
CID 114865852
4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392371
2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one
CID 103447067
methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate
CID 115924194
1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one
CID 116746800
2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 64765711

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol (CID 115401007) is 2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol is CCn1nccc1C(C)(O)C(C)(C)C.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is PWNUYYKVSDGFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-6-13-9(7-8-12-13)11(5,14)10(2,3)4/h7-8,14H,6H2,1-5H3.
What are the key properties of 2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol?
2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 115401007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).