[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol

C10H8ClFN2O — CID 115068469

IUPAC[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C10H8ClFN2O/c11-10-7(6-15)5-13-14(10)9-3-1-8(12)2-4-9/h1-5,15H,6H2
InChIKeyCXNZVUHBRLTJRM-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.16
Rot. Bonds2

About [5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol

[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol (PubChem CID 115068469) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is [5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol
PubChem CID115068469
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C10H8ClFN2O/c11-10-7(6-15)5-13-14(10)9-3-1-8(12)2-4-9/h1-5,15H,6H2
InChIKeyCXNZVUHBRLTJRM-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]propan-1-amine
CID 115068487
[5-chloro-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-7-yl]methanol
CID 121416465
2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol
CID 115069471
ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22228090
2-amino-3-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
CID 170892804
(5-chloro-1-methylpyrazol-4-yl)methanol
CID 69376960
2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine
CID 83898604
[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol
CID 115069654
[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 66438123
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
CID 83887983
[5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol
CID 115069463
2-[5-bromo-1-(4-fluorophenyl)pyrazol-4-yl]-N-[(2-chloro-4-fluorophenyl)methyl]acetamide
CID 58157052

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol (CID 115068469) is [5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol is OCc1cnn(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of [5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol?
The InChIKey is CXNZVUHBRLTJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-10-7(6-15)5-13-14(10)9-3-1-8(12)2-4-9/h1-5,15H,6H2.
What are the key properties of [5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol?
[5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol has a molecular weight of 226.64 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(4-fluorophenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 115068469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).