methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate

C11H18N4O3 — CID 82546712

IUPACmethyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cnn(C)c1N)C(C)C
InChIInChI=1S/C11H18N4O3/c1-6(2)8(11(17)18-4)14-10(16)7-5-13-15(3)9(7)12/h5-6,8H,12H2,1-4H3,(H,14,16)
InChIKeyLXOAZOQINUKNMC-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.07
Rot. Bonds4

About methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate

methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate (PubChem CID 82546712) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate
PubChem CID82546712
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Namemethyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cnn(C)c1N)C(C)C
InChIInChI=1S/C11H18N4O3/c1-6(2)8(11(17)18-4)14-10(16)7-5-13-15(3)9(7)12/h5-6,8H,12H2,1-4H3,(H,14,16)
InChIKeyLXOAZOQINUKNMC-UHFFFAOYSA-N
XLogP-0.07
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-N-cyclopropyl-1-methyl-1H-pyrazole-4-carboxamide
CID 80503163
5-amino-N-butyl-1-(propan-2-yl)-1H-pyrazole-4-carboxamide
CID 86781767
2-[(5-Amino-1-methylpyrazol-4-yl)carbonylamino]acetic acid
CID 45361724
ethyl (7-methyl-4-oxo-4,7-dihydro-3H-pyrazolo[3,4-d][1,2,3]triazin-3-yl)acetate
CID 73254431
5-amino-1-methyl-N-(2,2-dimethoxyethyl)-1h-pyrazole-4-carboxamide
CID 110485264
5-amino-N-(2,2-diethoxyethyl)-1-methyl-1h-pyrazole-4-carboxamide
CID 129746334
5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 103099366
5-amino-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-carboxamide
CID 115330885
3-Amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 146680624
5-Amino-1-methyl-N-propyl-1H-pyrazole-4-carboxamide
CID 13414484
5-amino-1-methyl-N-(1-methylethyl)-1H-pyrazole-4-carboxamide
CID 13235981
Methyl 2-[(4-carbamoyl-1-methylpyrazol-5-yl)amino]-2-oxoacetate
CID 124159535

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate (CID 82546712) is methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1cnn(C)c1N)C(C)C.
What is the InChIKey of methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate?
The InChIKey is LXOAZOQINUKNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-6(2)8(11(17)18-4)14-10(16)7-5-13-15(3)9(7)12/h5-6,8H,12H2,1-4H3,(H,14,16).
What are the key properties of methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate has a molecular weight of 254.29 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 82546712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).