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

C15H12N3O2- — CID 22267781

IUPAC5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)[O-])cnn1-c1cccc2ncccc12
InChIInChI=1S/C15H13N3O2/c1-2-13-11(15(19)20)9-17-18(13)14-7-3-6-12-10(14)5-4-8-16-12/h3-9H,2H2,1H3,(H,19,20)/p-1
InChIKeyNWYHYJVRSBVTGC-UHFFFAOYSA-M
MW266.28 g/mol
LogP1.35
Rot. Bonds3

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

5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate (PubChem CID 22267781) has the molecular formula C15H12N3O2- and a molecular weight of 266.28 g/mol. Its IUPAC name is 5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate
PubChem CID22267781
Molecular FormulaC15H12N3O2-
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)[O-])cnn1-c1cccc2ncccc12
InChIInChI=1S/C15H13N3O2/c1-2-13-11(15(19)20)9-17-18(13)14-7-3-6-12-10(14)5-4-8-16-12/h3-9H,2H2,1H3,(H,19,20)/p-1
InChIKeyNWYHYJVRSBVTGC-UHFFFAOYSA-M
XLogP1.35
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide
CID 22267831
ethyl 5-cyano-1-quinolin-5-ylpyrazole-4-carboxylate
CID 134610341
5-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazole-4-carboxylic acid
CID 135132296
N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide
CID 22267835
N-(diaminomethylidene)-5-(phenylmethoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide
CID 22267867
5-butyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;N-(diaminomethylidene)-5-propyl-1-quinolin-6-ylpyrazole-4-carboxamide
CID 70065674
5-(5-propylpyrazol-1-yl)quinoline
CID 139907305
2-(3-quinolin-5-yltriazol-4-yl)acetic acid
CID 43671489
5-ethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82361158
ethane;5-ethylquinoline
CID 143401043
5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;methanesulfonic acid
CID 172848595
1-quinolin-5-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134610182

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate?
The IUPAC name of 5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate (CID 22267781) is 5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate.
What is the SMILES notation for 5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate?
The canonical SMILES for 5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate is CCc1c(C(=O)[O-])cnn1-c1cccc2ncccc12.
What is the InChIKey of 5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate?
The InChIKey is NWYHYJVRSBVTGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13N3O2/c1-2-13-11(15(19)20)9-17-18(13)14-7-3-6-12-10(14)5-4-8-16-12/h3-9H,2H2,1H3,(H,19,20)/p-1.
What are the key properties of 5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate?
5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate has a molecular weight of 266.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate is sourced from PubChem (CID 22267781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).