1-[(2-chlorophenyl)methyl]pyrazol-4-ol

C10H9ClN2O — CID 90457476

IUPAC1-[(2-chlorophenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C10H9ClN2O/c11-10-4-2-1-3-8(10)6-13-7-9(14)5-12-13/h1-5,7,14H,6H2
InChIKeyVBUPEWSUEGHPBW-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.29
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]pyrazol-4-ol

1-[(2-chlorophenyl)methyl]pyrazol-4-ol (PubChem CID 90457476) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]pyrazol-4-ol
PubChem CID90457476
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name1-[(2-chlorophenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C10H9ClN2O/c11-10-4-2-1-3-8(10)6-13-7-9(14)5-12-13/h1-5,7,14H,6H2
InChIKeyVBUPEWSUEGHPBW-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1H-pyrazol-4-ol
CID 642218
1-((4-fluorophenyl)methyl)-1H-pyrazol-4-ol
CID 90457104
1-[(2-fluorophenyl)methyl]-1H-pyrazol-4-ol
CID 90457437
1-[(2-methylphenyl)methyl]-1H-pyrazol-4-ol
CID 116799388
1-[(2-chlorophenyl)methyl]-1H-pyrazole
CID 10821592
1-((2-(trifluoromethyl)phenyl)methyl)-1H-pyrazol-4-ol
CID 117124790
1-[(2-Chloro-6-fluorophenyl)methyl]pyrazole
CID 57151553
1-[(2-Chloro-4-fluorophenyl)methyl]pyrazole
CID 63812069
1-[(2-Chlorophenyl)methyl]-4-(trifluoromethyl)pyrazole
CID 91804157
1-[(2-Chloro-5-fluorophenyl)methyl]pyrazole
CID 102620264
1-[(4-Chloro-2-fluorophenyl)methyl]-1H-pyrazol-4-ol
CID 114863612
1-[(1S)-1-(2-fluorophenyl)ethyl]pyrazol-4-ol
CID 118871163

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]pyrazol-4-ol?
The IUPAC name of 1-[(2-chlorophenyl)methyl]pyrazol-4-ol (CID 90457476) is 1-[(2-chlorophenyl)methyl]pyrazol-4-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]pyrazol-4-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]pyrazol-4-ol is Oc1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]pyrazol-4-ol?
The InChIKey is VBUPEWSUEGHPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-10-4-2-1-3-8(10)6-13-7-9(14)5-12-13/h1-5,7,14H,6H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]pyrazol-4-ol?
1-[(2-chlorophenyl)methyl]pyrazol-4-ol has a molecular weight of 208.65 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]pyrazol-4-ol is sourced from PubChem (CID 90457476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).