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

C13H14N2O3 — CID 2042513

IUPACmethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
SMILESCCOc1ccc(-c2cc(C(=O)OC)[nH]n2)cc1
InChIInChI=1S/C13H14N2O3/c1-3-18-10-6-4-9(5-7-10)11-8-12(15-14-11)13(16)17-2/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyJMEPAPLKSXTCMF-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.26
Rot. Bonds4

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

methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate (PubChem CID 2042513) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
PubChem CID2042513
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
SMILESCCOc1ccc(-c2cc(C(=O)OC)[nH]n2)cc1
InChIInChI=1S/C13H14N2O3/c1-3-18-10-6-4-9(5-7-10)11-8-12(15-14-11)13(16)17-2/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyJMEPAPLKSXTCMF-UHFFFAOYSA-N
XLogP2.26
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
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
methyl 4-[(E)-[[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
CID 5342768
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
N-[[4-(dimethylamino)phenyl]methyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918176
azepan-1-yl-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20918147
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856817
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918168
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate (CID 2042513) is methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate is CCOc1ccc(-c2cc(C(=O)OC)[nH]n2)cc1.
What is the InChIKey of methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is JMEPAPLKSXTCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-18-10-6-4-9(5-7-10)11-8-12(15-14-11)13(16)17-2/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate?
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 2042513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).