ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate

C12H10N4O2 — CID 113320668

IUPACethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C#N)nc2)c1
InChIInChI=1S/C12H10N4O2/c1-2-18-12(17)9-6-15-16(8-9)11-4-3-10(5-13)14-7-11/h3-4,6-8H,2H2,1H3
InChIKeyUIXASAYKVVHEEC-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.32
Rot. Bonds3

About ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate

ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate (PubChem CID 113320668) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate
PubChem CID113320668
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Nameethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C#N)nc2)c1
InChIInChI=1S/C12H10N4O2/c1-2-18-12(17)9-6-15-16(8-9)11-4-3-10(5-13)14-7-11/h3-4,6-8H,2H2,1H3
InChIKeyUIXASAYKVVHEEC-UHFFFAOYSA-N
XLogP1.32
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate
CID 81498617
ethyl 4-(4-cyanopyrazol-1-yl)benzoate
CID 174605681
1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
ethyl 1-(3-cyano-5-fluorophenyl)pyrazole-4-carboxylate
CID 102817682
ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate
CID 166063201
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
CID 155434676
ethyl 1-(2-cyano-5-methylphenyl)pyrazole-4-carboxylate
CID 81498402
ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate
CID 166063219
ethyl 4-amino-3-(6-cyano-3-pyridinyl)benzoate
CID 121271448
ethyl 1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate;[4-(trifluoromethoxy)phenyl]hydrazine;hydrochloride
CID 162044011
ethyl 1-(3-bromo-4-cyano-2-fluorophenyl)pyrazole-4-carboxylate
CID 107534209
ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate
CID 135154885

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate (CID 113320668) is ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(C#N)nc2)c1.
What is the InChIKey of ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate?
The InChIKey is UIXASAYKVVHEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-2-18-12(17)9-6-15-16(8-9)11-4-3-10(5-13)14-7-11/h3-4,6-8H,2H2,1H3.
What are the key properties of ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate?
ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate has a molecular weight of 242.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate is sourced from PubChem (CID 113320668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).