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

C10H8ClFN2O — CID 117232697

IUPAC5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2ccc(F)cc2)c1Cl
InChIInChI=1S/C10H8ClFN2O/c11-10-9(15)5-13-14(10)6-7-1-3-8(12)4-2-7/h1-5,15H,6H2
InChIKeyMHUVXUYDMWFVKB-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.43
Rot. Bonds2

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

5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol (PubChem CID 117232697) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol
PubChem CID117232697
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2ccc(F)cc2)c1Cl
InChIInChI=1S/C10H8ClFN2O/c11-10-9(15)5-13-14(10)6-7-1-3-8(12)4-2-7/h1-5,15H,6H2
InChIKeyMHUVXUYDMWFVKB-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

[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol
CID 115069654
4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
CID 55172408
5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole
CID 117232705
1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine
CID 66439624
1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751
5-(ethylamino)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 103218930
1-[(4-fluorophenyl)methyl]-5-methoxypyrazole-4-carboxylic acid
CID 115069336
1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine
CID 123309959
4-[[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]pyrazol-5-amine
CID 15129849
5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol
CID 117232569
1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one
CID 174471128
2-[5-chloro-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]acetic acid
CID 115068562

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol?
The IUPAC name of 5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol (CID 117232697) is 5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol.
What is the SMILES notation for 5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol?
The canonical SMILES for 5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol is Oc1cnn(Cc2ccc(F)cc2)c1Cl.
What is the InChIKey of 5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol?
The InChIKey is MHUVXUYDMWFVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-10-9(15)5-13-14(10)6-7-1-3-8(12)4-2-7/h1-5,15H,6H2.
What are the key properties of 5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol?
5-chloro-1-[(4-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 5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol is sourced from PubChem (CID 117232697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).