[5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol

C19H17Cl2FN2O2 — CID 66613884

IUPAC[5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C)nn(C)c2-c2c(F)cccc2Cl)c(Cl)c1
InChIInChI=1S/C19H17Cl2FN2O2/c1-10-16(19(25)12-8-7-11(26-3)9-14(12)21)18(24(2)23-10)17-13(20)5-4-6-15(17)22/h4-9,19,25H,1-3H3
InChIKeyXXBWXUAKVJECKN-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.93
Rot. Bonds4

About [5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol

[5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (PubChem CID 66613884) has the molecular formula C19H17Cl2FN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is [5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
PubChem CID66613884
Molecular FormulaC19H17Cl2FN2O2
Molecular Weight395.26 g/mol
Exact Mass394.07
IUPAC Name[5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C)nn(C)c2-c2c(F)cccc2Cl)c(Cl)c1
InChIInChI=1S/C19H17Cl2FN2O2/c1-10-16(19(25)12-8-7-11(26-3)9-14(12)21)18(24(2)23-10)17-13(20)5-4-6-15(17)22/h4-9,19,25H,1-3H3
InChIKeyXXBWXUAKVJECKN-UHFFFAOYSA-N
XLogP4.93
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The IUPAC name of [5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (CID 66613884) is [5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for [5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for [5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2c(C)nn(C)c2-c2c(F)cccc2Cl)c(Cl)c1.
What is the InChIKey of [5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The InChIKey is XXBWXUAKVJECKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O2/c1-10-16(19(25)12-8-7-11(26-3)9-14(12)21)18(24(2)23-10)17-13(20)5-4-6-15(17)22/h4-9,19,25H,1-3H3.
What are the key properties of [5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
[5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol has a molecular weight of 395.26 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 66613884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).