ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate

C14H16N2O2 — CID 4083925

IUPACethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2)nn1C
InChIInChI=1S/C14H16N2O2/c1-4-18-14(17)13-9-12(15-16(13)3)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3
InChIKeyZOHDJFVDVYZDIK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.57
Rot. Bonds3

About ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate

ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate (PubChem CID 4083925) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate
PubChem CID4083925
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2)nn1C
InChIInChI=1S/C14H16N2O2/c1-4-18-14(17)13-9-12(15-16(13)3)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3
InChIKeyZOHDJFVDVYZDIK-UHFFFAOYSA-N
XLogP2.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 26597179
ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate
CID 170337369
ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
CID 143899550
ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
CID 59946948
ethyl 1-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)pyrazole-5-carboxylate
CID 91872719
ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate
CID 14049154
ethyl 3-[3-(4-bromophenyl)-1,9-dimethyl-2-oxopyrido[2,3-b]indol-6-yl]-1-methylpyrazole-5-carboxylate
CID 66997378
ethyl 3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218066
ethyl 1-methyl-3-(2-phenylmethoxyphenyl)pyrazole-5-carboxylate
CID 169144581
1,5-dimethyl-3-(4-methylphenyl)pyrazole
CID 10679126
N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122301993
ethyl 1-(4-methylphenyl)-1,2,4-triazole-3-carboxylate
CID 71304242

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate (CID 4083925) is ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(C)cc2)nn1C.
What is the InChIKey of ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate?
The InChIKey is ZOHDJFVDVYZDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-18-14(17)13-9-12(15-16(13)3)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate?
ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate is sourced from PubChem (CID 4083925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).