ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate

C14H17N3O2 — CID 116532896

IUPACethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cnn(C)c2)nc1CC
InChIInChI=1S/C14H17N3O2/c1-4-12-11(14(18)19-5-2)6-7-13(16-12)10-8-15-17(3)9-10/h6-9H,4-5H2,1-3H3
InChIKeyHPHFKXKEMDMJDC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.22
Rot. Bonds4

About ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate

ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate (PubChem CID 116532896) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
PubChem CID116532896
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cnn(C)c2)nc1CC
InChIInChI=1S/C14H17N3O2/c1-4-12-11(14(18)19-5-2)6-7-13(16-12)10-8-15-17(3)9-10/h6-9H,4-5H2,1-3H3
InChIKeyHPHFKXKEMDMJDC-UHFFFAOYSA-N
XLogP2.22
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
Methyl 6-methylnicotinate
CID 231548
Pyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 2795462
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
(1-Amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
CID 4882528
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 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylate
CID 827523
Ethyl quinoline-3-carboxylate
CID 282842
methyl 1,3-diphenyl-1H-pyrazole-4-carboxylate
CID 827499

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate (CID 116532896) is ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cnn(C)c2)nc1CC.
What is the InChIKey of ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate?
The InChIKey is HPHFKXKEMDMJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-12-11(14(18)19-5-2)6-7-13(16-12)10-8-15-17(3)9-10/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate?
ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 116532896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).