ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate

C11H11N3O2 — CID 575601

IUPACethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)10-7-9(13-14-10)8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,13,14)
InChIKeyDKADLBFTYWLLOD-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.65
Rot. Bonds3

About ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate

ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate (PubChem CID 575601) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate
PubChem CID575601
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Nameethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)10-7-9(13-14-10)8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,13,14)
InChIKeyDKADLBFTYWLLOD-UHFFFAOYSA-N
XLogP1.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
CID 1265037
Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
Ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2405912
Methyl 4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoate
CID 11508699
5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid, hydrochloride
CID 12003791
Ethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
CID 156770112
Ethyl 3-(pyridin-2-yl)-1H-pyrazole-5-carboxylate
CID 612416
Dimethyl pyrazolo(1,5-a)pyridine-2,3-dicarboxylate
CID 2794621
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
Ethyl 3-[(pyrazolo[1,5-a]pyridin-2-ylcarbonyl)amino]benzoate
CID 16024845
ethyl 5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 46889131
ethyl 5-[4-(methoxymethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxylate
CID 46889133

Frequently Asked Questions

What is the IUPAC name of ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate (CID 575601) is ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate?
The InChIKey is DKADLBFTYWLLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-16-11(15)10-7-9(13-14-10)8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate?
ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 575601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).