1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride

C21H30ClFN2O — CID 157328171

IUPAC1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride
SMILESCCCc1cc(OCc2cc(C)ccc2F)n(CC2CCCCC2)n1.Cl
InChIInChI=1S/C21H29FN2O.ClH/c1-3-7-19-13-21(24(23-19)14-17-8-5-4-6-9-17)25-15-18-12-16(2)10-11-20(18)22;/h10-13,17H,3-9,14-15H2,1-2H3;1H
InChIKeyMYXLPXXTJLIMAD-UHFFFAOYSA-N
MW380.94 g/mol
LogP5.86
Rot. Bonds7

About 1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride

1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride (PubChem CID 157328171) has the molecular formula C21H30ClFN2O and a molecular weight of 380.94 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride
PubChem CID157328171
Molecular FormulaC21H30ClFN2O
Molecular Weight380.94 g/mol
Exact Mass380.20
IUPAC Name1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride
SMILESCCCc1cc(OCc2cc(C)ccc2F)n(CC2CCCCC2)n1.Cl
InChIInChI=1S/C21H29FN2O.ClH/c1-3-7-19-13-21(24(23-19)14-17-8-5-4-6-9-17)25-15-18-12-16(2)10-11-20(18)22;/h10-13,17H,3-9,14-15H2,1-2H3;1H
InChIKeyMYXLPXXTJLIMAD-UHFFFAOYSA-N
XLogP5.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.94
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 66665525
[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride
CID 66664847
5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole
CID 162239924
5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole
CID 158589704
2-[[1-(cyclopentylmethyl)-3-propylpyrazol-5-yl]oxymethyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 162207233
5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride
CID 158887581
1-[1-(cyclohexylmethyl)-5-[(3-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
CID 56600351
1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 66665335
2-[[1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-yl]oxymethyl]-5-fluorobenzonitrile
CID 66665101
[4-[[3-propyl-5-[(2,4,5-trifluorophenyl)methoxy]pyrazol-1-yl]methyl]phenyl]methanol
CID 160743861
1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
CID 66665075
[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol
CID 135230550

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride?
The IUPAC name of 1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride (CID 157328171) is 1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride?
The canonical SMILES for 1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride is CCCc1cc(OCc2cc(C)ccc2F)n(CC2CCCCC2)n1.Cl.
What is the InChIKey of 1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride?
The InChIKey is MYXLPXXTJLIMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O.ClH/c1-3-7-19-13-21(24(23-19)14-17-8-5-4-6-9-17)25-15-18-12-16(2)10-11-20(18)22;/h10-13,17H,3-9,14-15H2,1-2H3;1H.
What are the key properties of 1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride?
1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride is sourced from PubChem (CID 157328171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).