3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole

C26H25Cl2FN4O2 — CID 178128936

IUPAC3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole
SMILESC=C(c1cn(CC)nc1Cl)c1cc(Cl)nn1-c1ccc(F)cc1[C@@H](C)OCc1ccc(OC)cc1
InChIInChI=1S/C26H25Cl2FN4O2/c1-5-32-14-22(26(28)31-32)16(2)24-13-25(27)30-33(24)23-11-8-19(29)12-21(23)17(3)35-15-18-6-9-20(34-4)10-7-18/h6-14,17H,2,5,15H2,1,3-4H3/t17-/m1/s1
InChIKeyMHEQTJJCGUQBSJ-QGZVFWFLSA-N
MW515.42 g/mol
LogP6.88
Rot. Bonds9

About 3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole

3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole (PubChem CID 178128936) has the molecular formula C26H25Cl2FN4O2 and a molecular weight of 515.42 g/mol. Its IUPAC name is 3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole.

Molecular Properties

Compound Name3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole
PubChem CID178128936
Molecular FormulaC26H25Cl2FN4O2
Molecular Weight515.42 g/mol
Exact Mass514.13
IUPAC Name3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole
SMILESC=C(c1cn(CC)nc1Cl)c1cc(Cl)nn1-c1ccc(F)cc1[C@@H](C)OCc1ccc(OC)cc1
InChIInChI=1S/C26H25Cl2FN4O2/c1-5-32-14-22(26(28)31-32)16(2)24-13-25(27)30-33(24)23-11-8-19(29)12-21(23)17(3)35-15-18-6-9-20(34-4)10-7-18/h6-14,17H,2,5,15H2,1,3-4H3/t17-/m1/s1
InChIKeyMHEQTJJCGUQBSJ-QGZVFWFLSA-N
XLogP6.88
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.42
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}isoxazolidine
CID 16191137
1-[3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 46912850
1-(1-ethyl-1H-pyrazol-4-yl)-N-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 16189942
1-(1,3-dimethyl-1H-pyrazol-4-yl)-N-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16190383
1-[3-(4-Chlorophenyl)-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone
CID 155519683
(E)-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 168273871
2-[[1-(4-Chlorophenyl)-3-(4-hexoxyphenyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 145432966
3,5-Dichloro-4-[3-(2-fluoro-4-methoxy-phenyl)pyrazol-1-yl]pyridine
CID 15956840
3,5-Dichloro-4-[5-(2-fluoro-4-methoxy-phenyl)pyrazol-1-yl]pyridine
CID 15956841
1-Propanamine, 3-((1-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-pyrazol-3-yl)oxy)-N,N-dimethyl-,monohydrochloride
CID 3046981
1-(1,3-dimethyl-1H-pyrazol-4-yl)-N-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-N-methylmethanamine
CID 25281901
1-[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-N-phenylmethanimine
CID 72198031

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole?
The IUPAC name of 3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole (CID 178128936) is 3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole.
What is the SMILES notation for 3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole?
The canonical SMILES for 3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole is C=C(c1cn(CC)nc1Cl)c1cc(Cl)nn1-c1ccc(F)cc1[C@@H](C)OCc1ccc(OC)cc1.
What is the InChIKey of 3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole?
The InChIKey is MHEQTJJCGUQBSJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H25Cl2FN4O2/c1-5-32-14-22(26(28)31-32)16(2)24-13-25(27)30-33(24)23-11-8-19(29)12-21(23)17(3)35-15-18-6-9-20(34-4)10-7-18/h6-14,17H,2,5,15H2,1,3-4H3/t17-/m1/s1.
What are the key properties of 3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole?
3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole has a molecular weight of 515.42 g/mol, XLogP of 6.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethenyl]-1-ethylpyrazole is sourced from PubChem (CID 178128936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).