2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol

C10H16N2O — CID 130554961

IUPAC2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol
SMILESCn1ccc(C2(O)CCC2(C)C)n1
InChIInChI=1S/C10H16N2O/c1-9(2)5-6-10(9,13)8-4-7-12(3)11-8/h4,7,13H,5-6H2,1-3H3
InChIKeyNAQMBZUSQONLEM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.43
Rot. Bonds1

About 2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol

2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol (PubChem CID 130554961) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol
PubChem CID130554961
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol
SMILESCn1ccc(C2(O)CCC2(C)C)n1
InChIInChI=1S/C10H16N2O/c1-9(2)5-6-10(9,13)8-4-7-12(3)11-8/h4,7,13H,5-6H2,1-3H3
InChIKeyNAQMBZUSQONLEM-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol
CID 103122302
2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol
CID 103130256
4-(methylamino)-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol
CID 103132259
4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol
CID 165498607
7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 103130263
8-(1-methylpyrazol-3-yl)tricyclo[5.2.1.02,6]decan-8-ol
CID 103130067
4-(dimethylamino)-4-(1-methylpyrazol-3-yl)cyclohexan-1-one
CID 130200899
7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171951809
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828785
(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 141314396
2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 82869007

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol (CID 130554961) is 2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol is Cn1ccc(C2(O)CCC2(C)C)n1.
What is the InChIKey of 2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol?
The InChIKey is NAQMBZUSQONLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(2)5-6-10(9,13)8-4-7-12(3)11-8/h4,7,13H,5-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol?
2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol is sourced from PubChem (CID 130554961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).