methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate

C13H16N6O5 — CID 45028386

IUPACmethyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NC(=O)Nc2cc(C(=O)OC)n(C)n2)nn1C
InChIInChI=1S/C13H16N6O5/c1-18-7(11(20)23-3)5-9(16-18)14-13(22)15-10-6-8(12(21)24-4)19(2)17-10/h5-6H,1-4H3,(H2,14,15,16,17,22)
InChIKeyCEGDRMISWMAFDE-UHFFFAOYSA-N
MW336.31 g/mol
LogP0.37
Rot. Bonds4

About methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate

methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate (PubChem CID 45028386) has the molecular formula C13H16N6O5 and a molecular weight of 336.31 g/mol. Its IUPAC name is methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate
PubChem CID45028386
Molecular FormulaC13H16N6O5
Molecular Weight336.31 g/mol
Exact Mass336.12
IUPAC Namemethyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NC(=O)Nc2cc(C(=O)OC)n(C)n2)nn1C
InChIInChI=1S/C13H16N6O5/c1-18-7(11(20)23-3)5-9(16-18)14-13(22)15-10-6-8(12(21)24-4)19(2)17-10/h5-6H,1-4H3,(H2,14,15,16,17,22)
InChIKeyCEGDRMISWMAFDE-UHFFFAOYSA-N
XLogP0.37
TPSA129.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate (CID 45028386) is methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate is COC(=O)c1cc(NC(=O)Nc2cc(C(=O)OC)n(C)n2)nn1C.
What is the InChIKey of methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate?
The InChIKey is CEGDRMISWMAFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O5/c1-18-7(11(20)23-3)5-9(16-18)14-13(22)15-10-6-8(12(21)24-4)19(2)17-10/h5-6H,1-4H3,(H2,14,15,16,17,22).
What are the key properties of methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate?
methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate has a molecular weight of 336.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methoxycarbonyl-1-methylpyrazol-3-yl)carbamoylamino]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 45028386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).