ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate

C16H14N4O2 — CID 2998819

IUPACethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccn1
InChIInChI=1S/C16H14N4O2/c1-2-22-16(21)14-10-13(12-6-5-8-17-11-12)19-20(14)15-7-3-4-9-18-15/h3-11H,2H2,1H3
InChIKeySCCXFFVQODLYNF-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.51
Rot. Bonds4

About ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate

ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate (PubChem CID 2998819) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
PubChem CID2998819
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Nameethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccn1
InChIInChI=1S/C16H14N4O2/c1-2-22-16(21)14-10-13(12-6-5-8-17-11-12)19-20(14)15-7-3-4-9-18-15/h3-11H,2H2,1H3
InChIKeySCCXFFVQODLYNF-UHFFFAOYSA-N
XLogP2.51
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2405912
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CID 44419777
Methyl 3-(4-fluorophenyl)-1-methyl-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419792
methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate
CID 86279298
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
ethyl 3-butyl-1-pyridin-2-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylate
CID 14971686
Ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
CID 118708352
Propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 162652675
2-(3-Ethyl-ureido)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid methyl ester
CID 44571954
3-Tert-butyl-1-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-5-carboxylic acid
CID 162669354
methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 66828915

Frequently Asked Questions

What is the IUPAC name of ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate (CID 2998819) is ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate is CCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccn1.
What is the InChIKey of ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate?
The InChIKey is SCCXFFVQODLYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-2-22-16(21)14-10-13(12-6-5-8-17-11-12)19-20(14)15-7-3-4-9-18-15/h3-11H,2H2,1H3.
What are the key properties of ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate?
ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate is sourced from PubChem (CID 2998819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).