ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate

C12H12N4O3 — CID 11172995

IUPACethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate
SMILESCCOC(=O)n1ccc(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C12H12N4O3/c1-2-19-12(18)16-8-6-9(15-16)11(17)14-10-5-3-4-7-13-10/h3-8H,2H2,1H3,(H,13,14,17)
InChIKeyXVJHERPTMSBJBD-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.53
Rot. Bonds3

About ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate

ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate (PubChem CID 11172995) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate
PubChem CID11172995
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Nameethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate
SMILESCCOC(=O)n1ccc(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C12H12N4O3/c1-2-19-12(18)16-8-6-9(15-16)11(17)14-10-5-3-4-7-13-10/h3-8H,2H2,1H3,(H,13,14,17)
InChIKeyXVJHERPTMSBJBD-UHFFFAOYSA-N
XLogP1.53
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
5-methyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 1247385
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate
CID 156597569
2-(4-ethoxyphenyl)-N-pyridin-2-ylacetamide
CID 17458735
4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride
CID 172619074
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
5-methyl-N-pyridin-2-ylpyrimidine-2-carboxamide
CID 134531316
ethyl 1-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 126478028
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate?
The IUPAC name of ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate (CID 11172995) is ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate.
What is the SMILES notation for ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate?
The canonical SMILES for ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate is CCOC(=O)n1ccc(C(=O)Nc2ccccn2)n1.
What is the InChIKey of ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate?
The InChIKey is XVJHERPTMSBJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-2-19-12(18)16-8-6-9(15-16)11(17)14-10-5-3-4-7-13-10/h3-8H,2H2,1H3,(H,13,14,17).
What are the key properties of ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate?
ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(pyridin-2-ylcarbamoyl)pyrazole-1-carboxylate is sourced from PubChem (CID 11172995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).