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

C15H18ClFN2O2 — CID 107698401

IUPAC[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
SMILESCCc1nn(CC)c(COc2ccc(F)cc2CO)c1Cl
InChIInChI=1S/C15H18ClFN2O2/c1-3-12-15(16)13(19(4-2)18-12)9-21-14-6-5-11(17)7-10(14)8-20/h5-7,20H,3-4,8-9H2,1-2H3
InChIKeyUJBYZQDIQVZGMG-UHFFFAOYSA-N
MW312.77 g/mol
LogP3.33
Rot. Bonds6

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

[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol (PubChem CID 107698401) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is [2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
PubChem CID107698401
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
SMILESCCc1nn(CC)c(COc2ccc(F)cc2CO)c1Cl
InChIInChI=1S/C15H18ClFN2O2/c1-3-12-15(16)13(19(4-2)18-12)9-21-14-6-5-11(17)7-10(14)8-20/h5-7,20H,3-4,8-9H2,1-2H3
InChIKeyUJBYZQDIQVZGMG-UHFFFAOYSA-N
XLogP3.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698635
[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698448
4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole
CID 81005789
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine
CID 79163859
4,5-dichloro-2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]aniline
CID 107498514
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
CID 115778632
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylphenyl]methanol
CID 102616489
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001455
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815316
[5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol
CID 107698407
[5-fluoro-2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 107698416
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700343

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol?
The IUPAC name of [2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol (CID 107698401) is [2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol is CCc1nn(CC)c(COc2ccc(F)cc2CO)c1Cl.
What is the InChIKey of [2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol?
The InChIKey is UJBYZQDIQVZGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-3-12-15(16)13(19(4-2)18-12)9-21-14-6-5-11(17)7-10(14)8-20/h5-7,20H,3-4,8-9H2,1-2H3.
What are the key properties of [2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol?
[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol has a molecular weight of 312.77 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol is sourced from PubChem (CID 107698401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).