1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol

C38H39ClF2N4O4 — CID 165061180

IUPAC1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol
SMILESCOc1ccc(CCl)cc1.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2cccn2)cc1.C[C@@H](O)c1cc(F)ccc1-n1cccn1
InChIInChI=1S/C19H19FN2O2.C11H11FN2O.C8H9ClO/c1-14(24-13-15-4-7-17(23-2)8-5-15)18-12-16(20)6-9-19(18)22-11-3-10-21-22;1-8(15)10-7-9(12)3-4-11(10)14-6-2-5-13-14;1-10-8-4-2-7(6-9)3-5-8/h3-12,14H,13H2,1-2H3;2-8,15H,1H3;2-5H,6H2,1H3/t14-;8-;/m11./s1
InChIKeyRFPWYMBULNDTNR-JZNBPZCISA-N
MW689.20 g/mol
LogP8.80
Rot. Bonds10

About 1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol

1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol (PubChem CID 165061180) has the molecular formula C38H39ClF2N4O4 and a molecular weight of 689.20 g/mol. Its IUPAC name is 1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol
PubChem CID165061180
Molecular FormulaC38H39ClF2N4O4
Molecular Weight689.20 g/mol
Exact Mass688.26
IUPAC Name1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol
SMILESCOc1ccc(CCl)cc1.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2cccn2)cc1.C[C@@H](O)c1cc(F)ccc1-n1cccn1
InChIInChI=1S/C19H19FN2O2.C11H11FN2O.C8H9ClO/c1-14(24-13-15-4-7-17(23-2)8-5-15)18-12-16(20)6-9-19(18)22-11-3-10-21-22;1-8(15)10-7-9(12)3-4-11(10)14-6-2-5-13-14;1-10-8-4-2-7(6-9)3-5-8/h3-12,14H,13H2,1-2H3;2-8,15H,1H3;2-5H,6H2,1H3/t14-;8-;/m11./s1
InChIKeyRFPWYMBULNDTNR-JZNBPZCISA-N
XLogP8.80
TPSA83.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.20
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol 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

(E,1R)-2-ethyl-7-[4-ethyl-1-(4-fluorophenyl)pyrazol-5-yl]-1-[4-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]-6-methylhept-6-en-1-ol
CID 70807248
[3-[[1-(4-Fluorophenyl)-4-methylpyrazol-5-yl]methylidene]-2-methylcyclohexyl]-(4-phenoxyphenyl)methanol
CID 123758799
(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol
CID 164718517
3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole
CID 164718551
1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazole
CID 164718610
1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole
CID 164718730
3-Chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazole
CID 164718836
4-[[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]methyl]-1-(cyclopropylmethyl)triazole
CID 164718871
[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol
CID 164718973
1-ethyl-4-[[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazole
CID 164719038
[3-Chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol
CID 164719417
(1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol
CID 164719555

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol?
The IUPAC name of 1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol (CID 165061180) is 1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol.
What is the SMILES notation for 1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol?
The canonical SMILES for 1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol is COc1ccc(CCl)cc1.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2cccn2)cc1.C[C@@H](O)c1cc(F)ccc1-n1cccn1.
What is the InChIKey of 1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol?
The InChIKey is RFPWYMBULNDTNR-JZNBPZCISA-N. The full InChI is InChI=1S/C19H19FN2O2.C11H11FN2O.C8H9ClO/c1-14(24-13-15-4-7-17(23-2)8-5-15)18-12-16(20)6-9-19(18)22-11-3-10-21-22;1-8(15)10-7-9(12)3-4-11(10)14-6-2-5-13-14;1-10-8-4-2-7(6-9)3-5-8/h3-12,14H,13H2,1-2H3;2-8,15H,1H3;2-5H,6H2,1H3/t14-;8-;/m11./s1.
What are the key properties of 1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol?
1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol has a molecular weight of 689.20 g/mol, XLogP of 8.80, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-methoxybenzene;1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazole;(1R)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethanol is sourced from PubChem (CID 165061180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).