ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate

C16H18N2O3 — CID 63235121

IUPACethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C1CC1
InChIInChI=1S/C16H18N2O3/c1-3-21-16(19)14-10-17-18(15(14)11-4-5-11)12-6-8-13(20-2)9-7-12/h6-11H,3-5H2,1-2H3
InChIKeyZJIOCRSLBINPNV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.93
Rot. Bonds5

About ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate

ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate (PubChem CID 63235121) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
PubChem CID63235121
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C1CC1
InChIInChI=1S/C16H18N2O3/c1-3-21-16(19)14-10-17-18(15(14)11-4-5-11)12-6-8-13(20-2)9-7-12/h6-11H,3-5H2,1-2H3
InChIKeyZJIOCRSLBINPNV-UHFFFAOYSA-N
XLogP2.93
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate (CID 63235121) is ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate?
The InChIKey is ZJIOCRSLBINPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-21-16(19)14-10-17-18(15(14)11-4-5-11)12-6-8-13(20-2)9-7-12/h6-11H,3-5H2,1-2H3.
What are the key properties of ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate?
ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 63235121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).