ethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate

C17H22N2O3 — CID 134142814

IUPACethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(OC)cc2)nc1CC(C)C
InChIInChI=1S/C17H22N2O3/c1-5-22-17(20)15-11-19(18-16(15)10-12(2)3)13-6-8-14(21-4)9-7-13/h6-9,11-12H,5,10H2,1-4H3
InChIKeyRHJFRXZGHDCCAH-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.26
Rot. Bonds6

About ethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate

ethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate (PubChem CID 134142814) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate
PubChem CID134142814
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(OC)cc2)nc1CC(C)C
InChIInChI=1S/C17H22N2O3/c1-5-22-17(20)15-11-19(18-16(15)10-12(2)3)13-6-8-14(21-4)9-7-13/h6-9,11-12H,5,10H2,1-4H3
InChIKeyRHJFRXZGHDCCAH-UHFFFAOYSA-N
XLogP3.26
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate (CID 134142814) is ethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate is CCOC(=O)c1cn(-c2ccc(OC)cc2)nc1CC(C)C.
What is the InChIKey of ethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate?
The InChIKey is RHJFRXZGHDCCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-22-17(20)15-11-19(18-16(15)10-12(2)3)13-6-8-14(21-4)9-7-13/h6-9,11-12H,5,10H2,1-4H3.
What are the key properties of ethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate?
ethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazole-4-carboxylate is sourced from PubChem (CID 134142814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).