3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole

C20H20ClFN2O2 — CID 164718746

IUPAC3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole
SMILESCOc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(Cl)cc2C)cc1
InChIInChI=1S/C20H20ClFN2O2/c1-13-10-20(21)23-24(13)19-9-6-16(22)11-18(19)14(2)26-12-15-4-7-17(25-3)8-5-15/h4-11,14H,12H2,1-3H3/t14-/m1/s1
InChIKeyBCIWBPXGGBOATI-CQSZACIVSA-N
MW374.84 g/mol
LogP5.26
Rot. Bonds6

About 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole

3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole (PubChem CID 164718746) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole.

Molecular Properties

Compound Name3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole
PubChem CID164718746
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole
SMILESCOc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(Cl)cc2C)cc1
InChIInChI=1S/C20H20ClFN2O2/c1-13-10-20(21)23-24(13)19-9-6-16(22)11-18(19)14(2)26-12-15-4-7-17(25-3)8-5-15/h4-11,14H,12H2,1-3H3/t14-/m1/s1
InChIKeyBCIWBPXGGBOATI-CQSZACIVSA-N
XLogP5.26
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.84
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate
CID 164719516
[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;methanesulfonyl chloride
CID 165085922
(6R)-8-fluoro-4-hydroxy-6-methyl-6H-pyrazolo[1,5-a][4,1,3]benzoxazaborepine;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;trimethyl borate
CID 165091974
[(3-cyano-1-methylpyrazol-5-yl)-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]methyl] methanesulfonate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]methyl]-1-methylpyrazole-3-carbonitrile
CID 165063948
5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile
CID 164719110
1-(cyclopropylmethyl)-4-[[1-[4-fluoro-2-(1-phenylmethoxyethyl)phenyl]-3-methoxypyrazol-5-yl]methyl]triazole
CID 175413215
[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol
CID 164718860
1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 105397498
5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
CID 174227358
1-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63017689
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 105394780
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole?
The IUPAC name of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole (CID 164718746) is 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole.
What is the SMILES notation for 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole?
The canonical SMILES for 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole is COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(Cl)cc2C)cc1.
What is the InChIKey of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole?
The InChIKey is BCIWBPXGGBOATI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-13-10-20(21)23-24(13)19-9-6-16(22)11-18(19)14(2)26-12-15-4-7-17(25-3)8-5-15/h4-11,14H,12H2,1-3H3/t14-/m1/s1.
What are the key properties of 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole?
3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole has a molecular weight of 374.84 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-5-methylpyrazole is sourced from PubChem (CID 164718746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).