[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol

C15H18ClFN2O — CID 115984308

IUPAC[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(Cc2cccc(F)c2Cl)c(CC)c1CO
InChIInChI=1S/C15H18ClFN2O/c1-3-13-11(9-20)14(4-2)19(18-13)8-10-6-5-7-12(17)15(10)16/h5-7,20H,3-4,8-9H2,1-2H3
InChIKeyJKIYYMILSSFVKV-UHFFFAOYSA-N
MW296.77 g/mol
LogP3.34
Rot. Bonds5

About [1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol

[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol (PubChem CID 115984308) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is [1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
PubChem CID115984308
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(Cc2cccc(F)c2Cl)c(CC)c1CO
InChIInChI=1S/C15H18ClFN2O/c1-3-13-11(9-20)14(4-2)19(18-13)8-10-6-5-7-12(17)15(10)16/h5-7,20H,3-4,8-9H2,1-2H3
InChIKeyJKIYYMILSSFVKV-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82698157
1-[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanone
CID 115984290
[1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697288
[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82696869
[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697489
[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
CID 82697742
[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697868
1-[3,5-diethyl-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697882
1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine
CID 82702759
1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702486
[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82700758
[1-[(2-chloro-3-fluorophenyl)methyl]indazol-3-yl]methanamine
CID 115984346

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The IUPAC name of [1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol (CID 115984308) is [1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol is CCc1nn(Cc2cccc(F)c2Cl)c(CC)c1CO.
What is the InChIKey of [1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The InChIKey is JKIYYMILSSFVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c1-3-13-11(9-20)14(4-2)19(18-13)8-10-6-5-7-12(17)15(10)16/h5-7,20H,3-4,8-9H2,1-2H3.
What are the key properties of [1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol has a molecular weight of 296.77 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol is sourced from PubChem (CID 115984308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).