(2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate

C18H22F2N2O2 — CID 55444463

IUPAC(2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)OCc1cccc(F)c1F
InChIInChI=1S/C18H22F2N2O2/c1-11(2)9-22-13(4)15(12(3)21-22)8-17(23)24-10-14-6-5-7-16(19)18(14)20/h5-7,11H,8-10H2,1-4H3
InChIKeyYBSYFZHNKWLALT-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.72
Rot. Bonds6

About (2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate

(2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate (PubChem CID 55444463) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is (2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate.

Molecular Properties

Compound Name(2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
PubChem CID55444463
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name(2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)OCc1cccc(F)c1F
InChIInChI=1S/C18H22F2N2O2/c1-11(2)9-22-13(4)15(12(3)21-22)8-17(23)24-10-14-6-5-7-16(19)18(14)20/h5-7,11H,8-10H2,1-4H3
InChIKeyYBSYFZHNKWLALT-UHFFFAOYSA-N
XLogP3.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
The IUPAC name of (2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate (CID 55444463) is (2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate.
What is the SMILES notation for (2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
The canonical SMILES for (2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate is Cc1nn(CC(C)C)c(C)c1CC(=O)OCc1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
The InChIKey is YBSYFZHNKWLALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c1-11(2)9-22-13(4)15(12(3)21-22)8-17(23)24-10-14-6-5-7-16(19)18(14)20/h5-7,11H,8-10H2,1-4H3.
What are the key properties of (2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate?
(2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate has a molecular weight of 336.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate is sourced from PubChem (CID 55444463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).