1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol

C10H8ClFN2O — CID 102622243

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2cc(F)ccc2Cl)c1
InChIInChI=1S/C10H8ClFN2O/c11-10-2-1-8(12)3-7(10)5-14-6-9(15)4-13-14/h1-4,6,15H,5H2
InChIKeyGRBMMYKAJWYYID-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.43
Rot. Bonds2

About 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol

1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol (PubChem CID 102622243) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
PubChem CID102622243
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2cc(F)ccc2Cl)c1
InChIInChI=1S/C10H8ClFN2O/c11-10-2-1-8(12)3-7(10)5-14-6-9(15)4-13-14/h1-4,6,15H,5H2
InChIKeyGRBMMYKAJWYYID-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride
CID 102619521
1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine
CID 102620096
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
CID 102620264
[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol
CID 102619773
1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol
CID 117124791
2-[(4-chloropyrazol-1-yl)methyl]-4-fluoroaniline
CID 61036280
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
CID 102616038
[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194722
N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine
CID 166350397
4-fluoro-2-[(4-methylpyrazol-1-yl)methyl]benzoic acid
CID 104651148
1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride
CID 175103248
[1-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 102619772

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol (CID 102622243) is 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol is Oc1cnn(Cc2cc(F)ccc2Cl)c1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol?
The InChIKey is GRBMMYKAJWYYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-10-2-1-8(12)3-7(10)5-14-6-9(15)4-13-14/h1-4,6,15H,5H2.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol?
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol has a molecular weight of 226.64 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol is sourced from PubChem (CID 102622243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).