1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid

C19H18N2O4 — CID 155550265

IUPAC1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid
SMILESCn1nc(OCc2ccccc2)c(C(=O)O)c1COc1ccccc1
InChIInChI=1S/C19H18N2O4/c1-21-16(13-24-15-10-6-3-7-11-15)17(19(22)23)18(20-21)25-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyKMOSZQGZQBTOIZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.28
Rot. Bonds7

About 1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid

1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid (PubChem CID 155550265) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid
PubChem CID155550265
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid
SMILESCn1nc(OCc2ccccc2)c(C(=O)O)c1COc1ccccc1
InChIInChI=1S/C19H18N2O4/c1-21-16(13-24-15-10-6-3-7-11-15)17(19(22)23)18(20-21)25-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyKMOSZQGZQBTOIZ-UHFFFAOYSA-N
XLogP3.28
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Fenpyroximate M-8
CID 10876220
(Z)-Fenpyroximate (free acid)
CID 101126861
Fenpyroximate M-19
CID 139595041
Fenpyroximate M-20
CID 139597984
1,3-Dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid
CID 2774290
Ammonium, (2-((1-benzyl-4-carboxy-3-methylpyrazol-5-yl)oxy)ethyl)trimethyl-, iodide, ethyl ester
CID 29630
3-(Cyclopropylmethoxy)-1-methyl-5-(phenoxymethyl)pyrazole-4-carboxylic acid
CID 155550546
3-Ethoxy-1-methyl-5-(phenoxymethyl)pyrazole-4-carboxylic acid
CID 155552909
5-(benzyloxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CID 33785270
Methyl 1-acetyl-3-methyl-5-(phenoxymethyl)pyrazole-4-carboxylate
CID 2746225
1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid
CID 2775696
(E)-Fenpyroximate (free acid)
CID 14300682

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid (CID 155550265) is 1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid is Cn1nc(OCc2ccccc2)c(C(=O)O)c1COc1ccccc1.
What is the InChIKey of 1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid?
The InChIKey is KMOSZQGZQBTOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-21-16(13-24-15-10-6-3-7-11-15)17(19(22)23)18(20-21)25-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,22,23).
What are the key properties of 1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid?
1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid is sourced from PubChem (CID 155550265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).