[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate

C19H16F2N2O3 — CID 44537805

IUPAC[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate
SMILESCOc1ccc(Cn2nc(C)cc2OC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H16F2N2O3/c1-12-10-17(26-19(24)18-15(20)4-3-5-16(18)21)23(22-12)11-13-6-8-14(25-2)9-7-13/h3-10H,11H2,1-2H3
InChIKeyUHMKBNLAEWRRPR-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.75
Rot. Bonds5

About [2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate

[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate (PubChem CID 44537805) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate
PubChem CID44537805
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC Name[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate
SMILESCOc1ccc(Cn2nc(C)cc2OC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H16F2N2O3/c1-12-10-17(26-19(24)18-15(20)4-3-5-16(18)21)23(22-12)11-13-6-8-14(25-2)9-7-13/h3-10H,11H2,1-2H3
InChIKeyUHMKBNLAEWRRPR-UHFFFAOYSA-N
XLogP3.75
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Fenpyroximate
CID 9576412
Fenpyroximate, (Z)-
CID 6002001
Benzoic acid, 4-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methyleneaminooxymethyl-, 1,1-dimethylethyl ester
CID 107760
(Z)-Fenpyroximate (free acid)
CID 101126861
1-[[2-[(2,4-Difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11406237
Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002
4-Fluoro-3-(3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propoxy)benzoic acid
CID 139507742
4-methylphenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate
CID 2740670
methyl (E)-3-methoxy-2-[2-[[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]prop-2-enoate
CID 45258788
methyl (E)-3-methoxy-2-[2-[[3-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]prop-2-enoate
CID 45258789
methyl (E)-3-methoxy-2-[2-[[1-methyl-3-(2-phenylmethoxyphenyl)pyrazol-5-yl]oxymethyl]phenyl]prop-2-enoate
CID 45258790
[2-[5-[[2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]phenyl]methoxy]-1-methylpyrazol-3-yl]phenyl] 4-fluorobenzoate
CID 45258889

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate?
The IUPAC name of [2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate (CID 44537805) is [2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate?
The canonical SMILES for [2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate is COc1ccc(Cn2nc(C)cc2OC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate?
The InChIKey is UHMKBNLAEWRRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c1-12-10-17(26-19(24)18-15(20)4-3-5-16(18)21)23(22-12)11-13-6-8-14(25-2)9-7-13/h3-10H,11H2,1-2H3.
What are the key properties of [2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate?
[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate has a molecular weight of 358.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl] 2,6-difluorobenzoate is sourced from PubChem (CID 44537805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).