1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol

C9H12F2N2O — CID 130487700

IUPAC1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol
SMILESOc1cnn(CC2CCC(F)(F)C2)c1
InChIInChI=1S/C9H12F2N2O/c10-9(11)2-1-7(3-9)5-13-6-8(14)4-12-13/h4,6-7,14H,1-3,5H2
InChIKeyACDPMJIVBQZCSI-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.02
Rot. Bonds2

About 1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol

1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol (PubChem CID 130487700) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol
PubChem CID130487700
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol
SMILESOc1cnn(CC2CCC(F)(F)C2)c1
InChIInChI=1S/C9H12F2N2O/c10-9(11)2-1-7(3-9)5-13-6-8(14)4-12-13/h4,6-7,14H,1-3,5H2
InChIKeyACDPMJIVBQZCSI-UHFFFAOYSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]propan-1-ol
CID 114225169
1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-ol
CID 117124738
1-[(3,3-difluorocyclopentyl)methyl]triazole-4-carboxamide
CID 146136211
[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]boronic acid
CID 164651773
4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 82391848
1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoropropan-2-yl)-4-methylpyrazole
CID 175828684
N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine
CID 114225272
N-[[1-[(3,3-difluorocyclopentyl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 114225072
1-[(1-aminocyclopropyl)methyl]pyrazol-4-ol
CID 84763385
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol
CID 116799471
1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol
CID 116799380
ethyl 1-[(3,3-difluorocyclobutyl)methyl]pyrazole-4-carboxylate
CID 122240406

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol?
The IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol (CID 130487700) is 1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol.
What is the SMILES notation for 1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol?
The canonical SMILES for 1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol is Oc1cnn(CC2CCC(F)(F)C2)c1.
What is the InChIKey of 1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol?
The InChIKey is ACDPMJIVBQZCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-9(11)2-1-7(3-9)5-13-6-8(14)4-12-13/h4,6-7,14H,1-3,5H2.
What are the key properties of 1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol?
1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol has a molecular weight of 202.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol is sourced from PubChem (CID 130487700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).