ethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate

C14H16N4O3 — CID 16762327

IUPACethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NCc2ccccn2)n(C)n1
InChIInChI=1S/C14H16N4O3/c1-3-21-14(20)11-8-12(18(2)17-11)13(19)16-9-10-6-4-5-7-15-10/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyDHBVXZDNSMLBHA-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.92
Rot. Bonds5

About ethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate

ethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate (PubChem CID 16762327) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is ethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate
PubChem CID16762327
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Nameethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NCc2ccccn2)n(C)n1
InChIInChI=1S/C14H16N4O3/c1-3-21-14(20)11-8-12(18(2)17-11)13(19)16-9-10-6-4-5-7-15-10/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyDHBVXZDNSMLBHA-UHFFFAOYSA-N
XLogP0.92
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate (CID 16762327) is ethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(C(=O)NCc2ccccn2)n(C)n1.
What is the InChIKey of ethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate?
The InChIKey is DHBVXZDNSMLBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-21-14(20)11-8-12(18(2)17-11)13(19)16-9-10-6-4-5-7-15-10/h4-8H,3,9H2,1-2H3,(H,16,19).
What are the key properties of ethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate?
ethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate has a molecular weight of 288.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-(pyridin-2-ylmethylcarbamoyl)pyrazole-3-carboxylate is sourced from PubChem (CID 16762327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).