[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol

C13H13FN2O — CID 82082370

IUPAC[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol
SMILESOCc1cc(C2CC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C13H13FN2O/c14-10-2-1-3-12(6-10)16-13(9-4-5-9)7-11(8-17)15-16/h1-3,6-7,9,17H,4-5,8H2
InChIKeyAOOWMSDVODAIKJ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.38
Rot. Bonds3

About [5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol

[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol (PubChem CID 82082370) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol
PubChem CID82082370
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol
SMILESOCc1cc(C2CC2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C13H13FN2O/c14-10-2-1-3-12(6-10)16-13(9-4-5-9)7-11(8-17)15-16/h1-3,6-7,9,17H,4-5,8H2
InChIKeyAOOWMSDVODAIKJ-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]acetonitrile
CID 82084653
5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde
CID 115037644
5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
CID 82093610
[1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine
CID 82086673
3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine
CID 83864514
[5-cyclopropyl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]methanol
CID 82089024
1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine
CID 82082768
5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole
CID 66020792
5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 63788275
[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197026
2-[5-cyclopropyl-1-(3,4-dimethylphenyl)pyrazol-3-yl]acetonitrile
CID 82087736
(5-cyclobutyl-1-methylpyrazol-3-yl)methanol
CID 164719502

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol?
The IUPAC name of [5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol (CID 82082370) is [5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol is OCc1cc(C2CC2)n(-c2cccc(F)c2)n1.
What is the InChIKey of [5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol?
The InChIKey is AOOWMSDVODAIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-10-2-1-3-12(6-10)16-13(9-4-5-9)7-11(8-17)15-16/h1-3,6-7,9,17H,4-5,8H2.
What are the key properties of [5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol?
[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol has a molecular weight of 232.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 82082370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).