(5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol

C13H15N3O — CID 121212148

IUPAC(5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol
SMILESOCc1c(-c2cccnc2)n[nH]c1C1CCC1
InChIInChI=1S/C13H15N3O/c17-8-11-12(9-3-1-4-9)15-16-13(11)10-5-2-6-14-7-10/h2,5-7,9,17H,1,3-4,8H2,(H,15,16)
InChIKeyXMGQLGQMVOIVFW-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.23
Rot. Bonds3

About (5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol

(5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol (PubChem CID 121212148) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol
PubChem CID121212148
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol
SMILESOCc1c(-c2cccnc2)n[nH]c1C1CCC1
InChIInChI=1S/C13H15N3O/c17-8-11-12(9-3-1-4-9)15-16-13(11)10-5-2-6-14-7-10/h2,5-7,9,17H,1,3-4,8H2,(H,15,16)
InChIKeyXMGQLGQMVOIVFW-UHFFFAOYSA-N
XLogP2.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-cyclopentyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide
CID 155737889
2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide
CID 155397195
(2,6-dipyridin-3-ylphenyl)methanol
CID 46316451
(5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine
CID 121212446
4-(bromomethyl)-5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole
CID 121211432
(5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106833
5-cyclobutyl-3-phenyl-1H-pyrazole-4-carbaldehyde
CID 121212670
5-(oxan-3-yl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80522931
3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide
CID 59022800
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
N-cyclohexyl-3-pyridin-3-yl-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 59618963
2-(3-cyclobutyl-2H-indazol-7-yl)acetic acid
CID 105487842

Frequently Asked Questions

What is the IUPAC name of (5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol?
The IUPAC name of (5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol (CID 121212148) is (5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol.
What is the SMILES notation for (5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol?
The canonical SMILES for (5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol is OCc1c(-c2cccnc2)n[nH]c1C1CCC1.
What is the InChIKey of (5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol?
The InChIKey is XMGQLGQMVOIVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-8-11-12(9-3-1-4-9)15-16-13(11)10-5-2-6-14-7-10/h2,5-7,9,17H,1,3-4,8H2,(H,15,16).
What are the key properties of (5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol?
(5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol has a molecular weight of 229.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 121212148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).