ethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate

C18H17N3O2 — CID 22267584

IUPACethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1
InChIInChI=1S/C18H17N3O2/c1-2-23-18(22)14-11-20-21(17(14)12-8-9-12)16-7-3-6-15-13(16)5-4-10-19-15/h3-7,10-12H,2,8-9H2,1H3
InChIKeyKDRWXCMGMPBUFQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.47
Rot. Bonds4

About ethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate

ethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate (PubChem CID 22267584) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate
PubChem CID22267584
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Nameethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1
InChIInChI=1S/C18H17N3O2/c1-2-23-18(22)14-11-20-21(17(14)12-8-9-12)16-7-3-6-15-13(16)5-4-10-19-15/h3-7,10-12H,2,8-9H2,1H3
InChIKeyKDRWXCMGMPBUFQ-UHFFFAOYSA-N
XLogP3.47
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-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 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate (CID 22267584) is ethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate?
The InChIKey is KDRWXCMGMPBUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-23-18(22)14-11-20-21(17(14)12-8-9-12)16-7-3-6-15-13(16)5-4-10-19-15/h3-7,10-12H,2,8-9H2,1H3.
What are the key properties of ethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate?
ethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-quinolin-5-ylpyrazole-4-carboxylate is sourced from PubChem (CID 22267584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).