[1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol

C13H22N2O — CID 165494261

IUPAC[1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol
SMILESCC1CC(Cn2ncc(CO)c2C(C)C)C1
InChIInChI=1S/C13H22N2O/c1-9(2)13-12(8-16)6-14-15(13)7-11-4-10(3)5-11/h6,9-11,16H,4-5,7-8H2,1-3H3
InChIKeyBJIKITKJAHISDB-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds4

About [1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol

[1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol (PubChem CID 165494261) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol
PubChem CID165494261
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol
SMILESCC1CC(Cn2ncc(CO)c2C(C)C)C1
InChIInChI=1S/C13H22N2O/c1-9(2)13-12(8-16)6-14-15(13)7-11-4-10(3)5-11/h6,9-11,16H,4-5,7-8H2,1-3H3
InChIKeyBJIKITKJAHISDB-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol (CID 165494261) is [1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol is CC1CC(Cn2ncc(CO)c2C(C)C)C1.
What is the InChIKey of [1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol?
The InChIKey is BJIKITKJAHISDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)13-12(8-16)6-14-15(13)7-11-4-10(3)5-11/h6,9-11,16H,4-5,7-8H2,1-3H3.
What are the key properties of [1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol?
[1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol has a molecular weight of 222.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylcyclobutyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 165494261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).