5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole

C19H24ClFN2O — CID 162239924

IUPAC5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole
SMILESCCCc1cc(OCc2ccc(F)cc2Cl)n(CC2CCCC2)n1
InChIInChI=1S/C19H24ClFN2O/c1-2-5-17-11-19(23(22-17)12-14-6-3-4-7-14)24-13-15-8-9-16(21)10-18(15)20/h8-11,14H,2-7,12-13H2,1H3
InChIKeyZWOGIUNSRNACIU-UHFFFAOYSA-N
MW350.87 g/mol
LogP5.40
Rot. Bonds7

About 5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole

5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole (PubChem CID 162239924) has the molecular formula C19H24ClFN2O and a molecular weight of 350.87 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole
PubChem CID162239924
Molecular FormulaC19H24ClFN2O
Molecular Weight350.87 g/mol
Exact Mass350.16
IUPAC Name5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole
SMILESCCCc1cc(OCc2ccc(F)cc2Cl)n(CC2CCCC2)n1
InChIInChI=1S/C19H24ClFN2O/c1-2-5-17-11-19(23(22-17)12-14-6-3-4-7-14)24-13-15-8-9-16(21)10-18(15)20/h8-11,14H,2-7,12-13H2,1H3
InChIKeyZWOGIUNSRNACIU-UHFFFAOYSA-N
XLogP5.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.87
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride
CID 157328171
5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole
CID 158589704
[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride
CID 66664847
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 66665525
5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride
CID 158887581
[4-[[3-propyl-5-[(2,4,5-trifluorophenyl)methoxy]pyrazol-1-yl]methyl]phenyl]methanol
CID 160743861
1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 66665335
4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine
CID 62807216
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclooctanamine
CID 66533181
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 63033860

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole?
The IUPAC name of 5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole (CID 162239924) is 5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole?
The canonical SMILES for 5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole is CCCc1cc(OCc2ccc(F)cc2Cl)n(CC2CCCC2)n1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole?
The InChIKey is ZWOGIUNSRNACIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O/c1-2-5-17-11-19(23(22-17)12-14-6-3-4-7-14)24-13-15-8-9-16(21)10-18(15)20/h8-11,14H,2-7,12-13H2,1H3.
What are the key properties of 5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole?
5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole has a molecular weight of 350.87 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole is sourced from PubChem (CID 162239924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).