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

C11H14N6O3 — CID 70344682

IUPACmethyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]nc(NC(=O)c2[nH]nc(N)c2C)c1C
InChIInChI=1S/C11H14N6O3/c1-4-6(14-16-8(4)12)10(18)13-9-5(2)7(15-17-9)11(19)20-3/h1-3H3,(H3,12,14,16)(H2,13,15,17,18)
InChIKeyZZGAHJXQQAKPLS-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.37
Rot. Bonds3

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

methyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate (PubChem CID 70344682) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is methyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate
PubChem CID70344682
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Namemethyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]nc(NC(=O)c2[nH]nc(N)c2C)c1C
InChIInChI=1S/C11H14N6O3/c1-4-6(14-16-8(4)12)10(18)13-9-5(2)7(15-17-9)11(19)20-3/h1-3H3,(H3,12,14,16)(H2,13,15,17,18)
InChIKeyZZGAHJXQQAKPLS-UHFFFAOYSA-N
XLogP0.37
TPSA138.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-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-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate (CID 70344682) is methyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]nc(NC(=O)c2[nH]nc(N)c2C)c1C.
What is the InChIKey of methyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate?
The InChIKey is ZZGAHJXQQAKPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-4-6(14-16-8(4)12)10(18)13-9-5(2)7(15-17-9)11(19)20-3/h1-3H3,(H3,12,14,16)(H2,13,15,17,18).
What are the key properties of methyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate?
methyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate has a molecular weight of 278.27 g/mol, XLogP of 0.37, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-amino-4-methyl-1H-pyrazole-5-carbonyl)amino]-4-methyl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 70344682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).