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

C19H17ClF2N2O3 — CID 66614694

IUPAC(2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol
SMILESCOc1ccc(C(O)c2c(OC)nn(C)c2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C19H17ClF2N2O3/c1-24-17(15-13(21)5-4-6-14(15)22)16(19(23-24)27-3)18(25)11-8-7-10(26-2)9-12(11)20/h4-9,18,25H,1-3H3
InChIKeyVOBXXUKYLTWDDM-UHFFFAOYSA-N
MW394.81 g/mol
LogP4.12
Rot. Bonds5

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

(2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol (PubChem CID 66614694) has the molecular formula C19H17ClF2N2O3 and a molecular weight of 394.81 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol
PubChem CID66614694
Molecular FormulaC19H17ClF2N2O3
Molecular Weight394.81 g/mol
Exact Mass394.09
IUPAC Name(2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol
SMILESCOc1ccc(C(O)c2c(OC)nn(C)c2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C19H17ClF2N2O3/c1-24-17(15-13(21)5-4-6-14(15)22)16(19(23-24)27-3)18(25)11-8-7-10(26-2)9-12(11)20/h4-9,18,25H,1-3H3
InChIKeyVOBXXUKYLTWDDM-UHFFFAOYSA-N
XLogP4.12
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol?
The IUPAC name of (2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol (CID 66614694) is (2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol?
The canonical SMILES for (2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol is COc1ccc(C(O)c2c(OC)nn(C)c2-c2c(F)cccc2F)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol?
The InChIKey is VOBXXUKYLTWDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O3/c1-24-17(15-13(21)5-4-6-14(15)22)16(19(23-24)27-3)18(25)11-8-7-10(26-2)9-12(11)20/h4-9,18,25H,1-3H3.
What are the key properties of (2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol?
(2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol has a molecular weight of 394.81 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 66614694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).