1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol

C9H14N2O — CID 82870094

IUPAC1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
SMILESCn1ccc(CC2(O)CCC2)n1
InChIInChI=1S/C9H14N2O/c1-11-6-3-8(10-11)7-9(12)4-2-5-9/h3,6,12H,2,4-5,7H2,1H3
InChIKeySQIQBRXPHDWNHL-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.88
Rot. Bonds2

About 1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol

1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol (PubChem CID 82870094) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
PubChem CID82870094
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
SMILESCn1ccc(CC2(O)CCC2)n1
InChIInChI=1S/C9H14N2O/c1-11-6-3-8(10-11)7-9(12)4-2-5-9/h3,6,12H,2,4-5,7H2,1H3
InChIKeySQIQBRXPHDWNHL-UHFFFAOYSA-N
XLogP0.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[(1-methylpyrazol-3-yl)methyl]azepan-4-ol
CID 82869205
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869191
4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 82869439
3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82868484
2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol
CID 82870413
3-[(1-methylpyrazol-3-yl)methyl]-1,1-dioxothiolan-3-ol
CID 82869427
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 82869007
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 82872091
1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid
CID 82872075
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol
CID 82870101

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol (CID 82870094) is 1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol is Cn1ccc(CC2(O)CCC2)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol?
The InChIKey is SQIQBRXPHDWNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-6-3-8(10-11)7-9(12)4-2-5-9/h3,6,12H,2,4-5,7H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol?
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 82870094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).