ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate

C19H17ClN2O2 — CID 3712784

IUPACethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O2/c1-2-24-19(23)18-12-17(15-6-4-3-5-7-15)21-22(18)13-14-8-10-16(20)11-9-14/h3-12H,2,13H2,1H3
InChIKeyMBUXRFNLZCQKJX-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.43
Rot. Bonds5

About ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate

ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate (PubChem CID 3712784) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate
PubChem CID3712784
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Nameethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O2/c1-2-24-19(23)18-12-17(15-6-4-3-5-7-15)21-22(18)13-14-8-10-16(20)11-9-14/h3-12H,2,13H2,1H3
InChIKeyMBUXRFNLZCQKJX-UHFFFAOYSA-N
XLogP4.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate (CID 3712784) is ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate?
The InChIKey is MBUXRFNLZCQKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-2-24-19(23)18-12-17(15-6-4-3-5-7-15)21-22(18)13-14-8-10-16(20)11-9-14/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate?
ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate has a molecular weight of 340.81 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-chlorophenyl)methyl]-3-phenylpyrazole-5-carboxylate is sourced from PubChem (CID 3712784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).