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

C19H17Cl2FN2O3 — CID 66613482

IUPAC[5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(OC)nn(C)c2-c2c(F)cccc2Cl)c(Cl)c1
InChIInChI=1S/C19H17Cl2FN2O3/c1-24-17(15-12(20)5-4-6-14(15)22)16(19(23-24)27-3)18(25)11-8-7-10(26-2)9-13(11)21/h4-9,18,25H,1-3H3
InChIKeyFWATYENPNQPXCE-UHFFFAOYSA-N
MW411.26 g/mol
LogP4.63
Rot. Bonds5

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

[5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (PubChem CID 66613482) has the molecular formula C19H17Cl2FN2O3 and a molecular weight of 411.26 g/mol. Its IUPAC name is [5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
PubChem CID66613482
Molecular FormulaC19H17Cl2FN2O3
Molecular Weight411.26 g/mol
Exact Mass410.06
IUPAC Name[5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(OC)nn(C)c2-c2c(F)cccc2Cl)c(Cl)c1
InChIInChI=1S/C19H17Cl2FN2O3/c1-24-17(15-12(20)5-4-6-14(15)22)16(19(23-24)27-3)18(25)11-8-7-10(26-2)9-13(11)21/h4-9,18,25H,1-3H3
InChIKeyFWATYENPNQPXCE-UHFFFAOYSA-N
XLogP4.63
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The IUPAC name of [5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (CID 66613482) is [5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for [5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for [5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2c(OC)nn(C)c2-c2c(F)cccc2Cl)c(Cl)c1.
What is the InChIKey of [5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The InChIKey is FWATYENPNQPXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O3/c1-24-17(15-12(20)5-4-6-14(15)22)16(19(23-24)27-3)18(25)11-8-7-10(26-2)9-13(11)21/h4-9,18,25H,1-3H3.
What are the key properties of [5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
[5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol has a molecular weight of 411.26 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 66613482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).