ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate

C13H16N4O3 — CID 110467081

IUPACethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccn2C)n[nH]c1C
InChIInChI=1S/C13H16N4O3/c1-4-20-13(19)10-8(2)15-16-11(10)14-12(18)9-6-5-7-17(9)3/h5-7H,4H2,1-3H3,(H2,14,15,16,18)
InChIKeyMMWYFZOEJUJTLA-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.49
Rot. Bonds4

About ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate

ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate (PubChem CID 110467081) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate
PubChem CID110467081
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Nameethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccn2C)n[nH]c1C
InChIInChI=1S/C13H16N4O3/c1-4-20-13(19)10-8(2)15-16-11(10)14-12(18)9-6-5-7-17(9)3/h5-7H,4H2,1-3H3,(H2,14,15,16,18)
InChIKeyMMWYFZOEJUJTLA-UHFFFAOYSA-N
XLogP1.49
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-O-ethyl 2-O-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278346
ethyl 3-(benzylamino)-5-methyl-1H-pyrazole-4-carboxylate
CID 852511
ethyl 5-methyl-3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylate
CID 110461283
ethyl 5-methyl-3-(3-methylbutanoylamino)-1H-pyrazole-4-carboxylate
CID 110460684
ethyl 3-[[2-(dimethylamino)acetyl]amino]-5-methyl-1H-pyrazole-4-carboxylate
CID 110479738
1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 90937167
ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate
CID 60795100
ethyl 3-(3-chloroanilino)-5-methyl-1H-pyrazole-4-carboxylate
CID 14500687
ethyl 5-methyl-3-(pyrrolidine-2-carbonylamino)-1H-pyrazole-4-carboxylate
CID 110461403
ethyl 3-[(4-bromobenzoyl)amino]-5-phenyl-1H-pyrazole-4-carboxylate
CID 66557736
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 112690410
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 104618886

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate (CID 110467081) is ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate is CCOC(=O)c1c(NC(=O)c2cccn2C)n[nH]c1C.
What is the InChIKey of ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate?
The InChIKey is MMWYFZOEJUJTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-4-20-13(19)10-8(2)15-16-11(10)14-12(18)9-6-5-7-17(9)3/h5-7H,4H2,1-3H3,(H2,14,15,16,18).
What are the key properties of ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate?
ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 110467081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).