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

C16H18N2O2 — CID 63235023

IUPACethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C)cc2)c1C1CC1
InChIInChI=1S/C16H18N2O2/c1-3-20-16(19)14-10-17-18(15(14)12-6-7-12)13-8-4-11(2)5-9-13/h4-5,8-10,12H,3,6-7H2,1-2H3
InChIKeyUBWLDPMWAGNTDW-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.23
Rot. Bonds4

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

ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate (PubChem CID 63235023) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate
PubChem CID63235023
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C)cc2)c1C1CC1
InChIInChI=1S/C16H18N2O2/c1-3-20-16(19)14-10-17-18(15(14)12-6-7-12)13-8-4-11(2)5-9-13/h4-5,8-10,12H,3,6-7H2,1-2H3
InChIKeyUBWLDPMWAGNTDW-UHFFFAOYSA-N
XLogP3.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate (CID 63235023) is ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(C)cc2)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate?
The InChIKey is UBWLDPMWAGNTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-20-16(19)14-10-17-18(15(14)12-6-7-12)13-8-4-11(2)5-9-13/h4-5,8-10,12H,3,6-7H2,1-2H3.
What are the key properties of ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate?
ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 63235023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).