ethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate

C14H16N2O2 — CID 138978948

IUPACethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate
SMILESCCOC(=O)n1nccc1-c1ccc(C)cc1C
InChIInChI=1S/C14H16N2O2/c1-4-18-14(17)16-13(7-8-15-16)12-6-5-10(2)9-11(12)3/h5-9H,4H2,1-3H3
InChIKeyMNQNMDDFNPMTCD-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.17
Rot. Bonds2

About ethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate

ethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate (PubChem CID 138978948) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate
PubChem CID138978948
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate
SMILESCCOC(=O)n1nccc1-c1ccc(C)cc1C
InChIInChI=1S/C14H16N2O2/c1-4-18-14(17)16-13(7-8-15-16)12-6-5-10(2)9-11(12)3/h5-9H,4H2,1-3H3
InChIKeyMNQNMDDFNPMTCD-UHFFFAOYSA-N
XLogP3.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dimethylphenyl)-1-methylpyrazole
CID 91605877
ethyl 5-(dimethoxymethyl)pyrazole-1-carboxylate
CID 91288066
ethyl 3-(2,4-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171865672
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
ethyl (2S)-2-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7665828
ethyl 5-(2-acetylpyrazol-3-yl)-1,2-oxazole-3-carboxylate
CID 5063334
1-[5-(2,4-dimethylphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128339
bis(2,4-dimethylphenyl)-(1-ethoxy-1-oxobutan-2-yl)sulfanium
CID 162128823
5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 43671773
1-butyl-5-(2,4-dimethylphenyl)pyrazole-3-carboxylic acid
CID 82306392
5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
CID 3839367
tert-butyl N-[8-(2,4-dimethylphenyl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]carbamate
CID 22024400

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate?
The IUPAC name of ethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate (CID 138978948) is ethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate.
What is the SMILES notation for ethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate?
The canonical SMILES for ethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate is CCOC(=O)n1nccc1-c1ccc(C)cc1C.
What is the InChIKey of ethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate?
The InChIKey is MNQNMDDFNPMTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-18-14(17)16-13(7-8-15-16)12-6-5-10(2)9-11(12)3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate?
ethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,4-dimethylphenyl)pyrazole-1-carboxylate is sourced from PubChem (CID 138978948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).