5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride

C18H24ClF3N2O — CID 158887581

IUPAC5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride
SMILESCCCc1cc(OCc2cc(F)ccc2F)n(CCC(C)(C)F)n1.Cl
InChIInChI=1S/C18H23F3N2O.ClH/c1-4-5-15-11-17(23(22-15)9-8-18(2,3)21)24-12-13-10-14(19)6-7-16(13)20;/h6-7,10-11H,4-5,8-9,12H2,1-3H3;1H
InChIKeyWRZXZGPFZIDARW-UHFFFAOYSA-N
MW376.85 g/mol
LogP5.25
Rot. Bonds8

About 5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride

5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride (PubChem CID 158887581) has the molecular formula C18H24ClF3N2O and a molecular weight of 376.85 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride
PubChem CID158887581
Molecular FormulaC18H24ClF3N2O
Molecular Weight376.85 g/mol
Exact Mass376.15
IUPAC Name5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride
SMILESCCCc1cc(OCc2cc(F)ccc2F)n(CCC(C)(C)F)n1.Cl
InChIInChI=1S/C18H23F3N2O.ClH/c1-4-5-15-11-17(23(22-15)9-8-18(2,3)21)24-12-13-10-14(19)6-7-16(13)20;/h6-7,10-11H,4-5,8-9,12H2,1-3H3;1H
InChIKeyWRZXZGPFZIDARW-UHFFFAOYSA-N
XLogP5.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.85
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine
CID 66665037
1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(3,3-dimethylbutyl)pyrazol-3-yl]-N-methylmethanamine
CID 56601151
1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride
CID 157328171
[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride
CID 66664847
1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(3-methoxy-3-methylbutyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 66665464
4-[5-[(5-chloro-2-fluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]-2,2-dimethylbutan-1-ol;hydrochloride
CID 158901653
1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride
CID 66665590
[4-[[3-propyl-5-[(2,4,5-trifluorophenyl)methoxy]pyrazol-1-yl]methyl]phenyl]methanol
CID 160743861
5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole
CID 162239924
1-[1-(3,3-dimethylbutyl)-5-[(2,4,5-trifluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
CID 56601544
5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole
CID 158589704
1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(2,2-dimethylpropyl)pyrazol-3-yl]-N-methylmethanamine
CID 56601750

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride?
The IUPAC name of 5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride (CID 158887581) is 5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride.
What is the SMILES notation for 5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride?
The canonical SMILES for 5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride is CCCc1cc(OCc2cc(F)ccc2F)n(CCC(C)(C)F)n1.Cl.
What is the InChIKey of 5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride?
The InChIKey is WRZXZGPFZIDARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O.ClH/c1-4-5-15-11-17(23(22-15)9-8-18(2,3)21)24-12-13-10-14(19)6-7-16(13)20;/h6-7,10-11H,4-5,8-9,12H2,1-3H3;1H.
What are the key properties of 5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride?
5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride has a molecular weight of 376.85 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride is sourced from PubChem (CID 158887581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).