ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate

C16H16N6O3 — CID 165415312

IUPACethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1cn(-c2ccccn2)cn1
InChIInChI=1S/C16H16N6O3/c1-3-25-16(24)11-8-19-21(2)14(11)15(23)20-12-9-22(10-18-12)13-6-4-5-7-17-13/h4-10H,3H2,1-2H3,(H,20,23)
InChIKeyUMYXTQFAFYCOOB-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.43
Rot. Bonds5

About ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate

ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate (PubChem CID 165415312) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate
PubChem CID165415312
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Nameethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1cn(-c2ccccn2)cn1
InChIInChI=1S/C16H16N6O3/c1-3-25-16(24)11-8-19-21(2)14(11)15(23)20-12-9-22(10-18-12)13-6-4-5-7-17-13/h4-10H,3H2,1-2H3,(H,20,23)
InChIKeyUMYXTQFAFYCOOB-UHFFFAOYSA-N
XLogP1.43
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate (CID 165415312) is ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1C(=O)Nc1cn(-c2ccccn2)cn1.
What is the InChIKey of ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate?
The InChIKey is UMYXTQFAFYCOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-3-25-16(24)11-8-19-21(2)14(11)15(23)20-12-9-22(10-18-12)13-6-4-5-7-17-13/h4-10H,3H2,1-2H3,(H,20,23).
What are the key properties of ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate has a molecular weight of 340.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[(1-pyridin-2-ylimidazol-4-yl)carbamoyl]pyrazole-4-carboxylate is sourced from PubChem (CID 165415312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).