ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate

C14H16N2O3 — CID 75357938

IUPACethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OCC)cc2)n[nH]1
InChIInChI=1S/C14H16N2O3/c1-3-18-11-7-5-10(6-8-11)12-9-13(16-15-12)14(17)19-4-2/h5-9H,3-4H2,1-2H3,(H,15,16)
InChIKeyPAWLWYSMKWEOHS-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.65
Rot. Bonds5

About ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate

ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate (PubChem CID 75357938) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
PubChem CID75357938
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OCC)cc2)n[nH]1
InChIInChI=1S/C14H16N2O3/c1-3-18-11-7-5-10(6-8-11)12-9-13(16-15-12)14(17)19-4-2/h5-9H,3-4H2,1-2H3,(H,15,16)
InChIKeyPAWLWYSMKWEOHS-UHFFFAOYSA-N
XLogP2.65
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate
CID 135319051
ethyl 3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylate
CID 75357945
azepan-1-yl-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20918147
ethyl 3-(4-cyclohexylphenyl)-1H-pyrazole-5-carboxylate
CID 75357944
ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
CID 165461517
ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
CID 56675418
N-[(4-ethoxyphenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 71825312
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
3-(4-ethoxyphenyl)-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4102387
3-(4-ethoxyphenyl)-N-[(4-methylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5076714
propyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
CID 35607819

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate (CID 75357938) is ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(OCC)cc2)n[nH]1.
What is the InChIKey of ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is PAWLWYSMKWEOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-18-11-7-5-10(6-8-11)12-9-13(16-15-12)14(17)19-4-2/h5-9H,3-4H2,1-2H3,(H,15,16).
What are the key properties of ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate?
ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 75357938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).