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

C19H17ClF2N2O2 — CID 66614254

IUPAC[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)nn(C)c2-c2c(F)cccc2F)c(C)c1
InChIInChI=1S/C19H17ClF2N2O2/c1-10-9-11(26-3)7-8-12(10)18(25)16-17(24(2)23-19(16)20)15-13(21)5-4-6-14(15)22/h4-9,18,25H,1-3H3
InChIKeyUCJPRVMPGXIWKT-UHFFFAOYSA-N
MW378.81 g/mol
LogP4.42
Rot. Bonds4

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

[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol (PubChem CID 66614254) has the molecular formula C19H17ClF2N2O2 and a molecular weight of 378.81 g/mol. Its IUPAC name is [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
PubChem CID66614254
Molecular FormulaC19H17ClF2N2O2
Molecular Weight378.81 g/mol
Exact Mass378.09
IUPAC Name[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)nn(C)c2-c2c(F)cccc2F)c(C)c1
InChIInChI=1S/C19H17ClF2N2O2/c1-10-9-11(26-3)7-8-12(10)18(25)16-17(24(2)23-19(16)20)15-13(21)5-4-6-14(15)22/h4-9,18,25H,1-3H3
InChIKeyUCJPRVMPGXIWKT-UHFFFAOYSA-N
XLogP4.42
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 54.42
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]-(4-methoxy-2-methylphenyl)methanol?
The IUPAC name of [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol (CID 66614254) is [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol.
What is the SMILES notation for [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The canonical SMILES for [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol is COc1ccc(C(O)c2c(Cl)nn(C)c2-c2c(F)cccc2F)c(C)c1.
What is the InChIKey of [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The InChIKey is UCJPRVMPGXIWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O2/c1-10-9-11(26-3)7-8-12(10)18(25)16-17(24(2)23-19(16)20)15-13(21)5-4-6-14(15)22/h4-9,18,25H,1-3H3.
What are the key properties of [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol has a molecular weight of 378.81 g/mol, XLogP of 4.42, 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]-(4-methoxy-2-methylphenyl)methanol is sourced from PubChem (CID 66614254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).