ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate

C12H13N3O2 — CID 121372084

IUPACethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1ccn(C)n1
InChIInChI=1S/C12H13N3O2/c1-3-17-12(16)9-5-4-7-13-11(9)10-6-8-15(2)14-10/h4-8H,3H2,1-2H3
InChIKeyLOSZDMWXPPROFU-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.66
Rot. Bonds3

About ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate

ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate (PubChem CID 121372084) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate
PubChem CID121372084
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Nameethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1ccn(C)n1
InChIInChI=1S/C12H13N3O2/c1-3-17-12(16)9-5-4-7-13-11(9)10-6-8-15(2)14-10/h4-8H,3H2,1-2H3
InChIKeyLOSZDMWXPPROFU-UHFFFAOYSA-N
XLogP1.66
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
Ethyl 2-methylnicotinate
CID 74401
Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
Ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2405912
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
ethyl 1-phenyl-5-pyridin-4-yl-1H-pyrazole-4-carboxylate
CID 20855126
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
Methyl 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate
CID 752167
ethyl 1-phenyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxylate
CID 883633
ethyl 4-({[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]carbonyl}amino)benzoate
CID 1287871

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate (CID 121372084) is ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate is CCOC(=O)c1cccnc1-c1ccn(C)n1.
What is the InChIKey of ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate?
The InChIKey is LOSZDMWXPPROFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-3-17-12(16)9-5-4-7-13-11(9)10-6-8-15(2)14-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate?
ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate is sourced from PubChem (CID 121372084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).