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

C18H14Cl2F2N2O2 — CID 66613725

IUPAC[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)nn(C)c2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C18H14Cl2F2N2O2/c1-24-16(14-12(21)4-3-5-13(14)22)15(18(20)23-24)17(25)10-7-6-9(26-2)8-11(10)19/h3-8,17,25H,1-2H3
InChIKeySJHGDMKKYPXPKX-UHFFFAOYSA-N
MW399.22 g/mol
LogP4.76
Rot. Bonds4

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

[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (PubChem CID 66613725) has the molecular formula C18H14Cl2F2N2O2 and a molecular weight of 399.22 g/mol. Its IUPAC name is [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
PubChem CID66613725
Molecular FormulaC18H14Cl2F2N2O2
Molecular Weight399.22 g/mol
Exact Mass398.04
IUPAC Name[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)nn(C)c2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C18H14Cl2F2N2O2/c1-24-16(14-12(21)4-3-5-13(14)22)15(18(20)23-24)17(25)10-7-6-9(26-2)8-11(10)19/h3-8,17,25H,1-2H3
InChIKeySJHGDMKKYPXPKX-UHFFFAOYSA-N
XLogP4.76
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.22
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The IUPAC name of [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (CID 66613725) is [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2c(Cl)nn(C)c2-c2c(F)cccc2F)c(Cl)c1.
What is the InChIKey of [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The InChIKey is SJHGDMKKYPXPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F2N2O2/c1-24-16(14-12(21)4-3-5-13(14)22)15(18(20)23-24)17(25)10-7-6-9(26-2)8-11(10)19/h3-8,17,25H,1-2H3.
What are the key properties of [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol has a molecular weight of 399.22 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 66613725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).