(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

C20H19FN2O3 — CID 7913575

IUPAC(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(COC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1F
InChIInChI=1S/C20H19FN2O3/c1-13-19(14(2)23(22-13)16-7-5-4-6-8-16)20(24)26-12-15-9-10-18(25-3)17(21)11-15/h4-11H,12H2,1-3H3
InChIKeyFVPZTCZZPADTQG-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.99
Rot. Bonds5

About (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate (PubChem CID 7913575) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
PubChem CID7913575
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(COC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1F
InChIInChI=1S/C20H19FN2O3/c1-13-19(14(2)23(22-13)16-7-5-4-6-8-16)20(24)26-12-15-9-10-18(25-3)17(21)11-15/h4-11H,12H2,1-3H3
InChIKeyFVPZTCZZPADTQG-UHFFFAOYSA-N
XLogP3.99
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluoro-4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576074
(5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 4783540
(4-tert-butylphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7913484
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 24550122
(2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8879677
(3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate
CID 8553467
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33071348
(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate
CID 7785264
(2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576204
(3-methoxycarbonylphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576440
(3-fluoro-4-methoxyphenyl)methyl 3-benzyl-4-oxophthalazine-1-carboxylate
CID 4858436

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate (CID 7913575) is (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate is COc1ccc(COC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is FVPZTCZZPADTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-13-19(14(2)23(22-13)16-7-5-4-6-8-16)20(24)26-12-15-9-10-18(25-3)17(21)11-15/h4-11H,12H2,1-3H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 354.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 7913575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).