methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate

C12H20N4O3 — CID 62011673

IUPACmethyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C12H20N4O3/c1-8-12(9(2)15-14-8)13-10(17)7-16(3)6-5-11(18)19-4/h5-7H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyUNDPWNOPOLUNQN-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.46
Rot. Bonds6

About methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate

methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate (PubChem CID 62011673) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate
PubChem CID62011673
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Namemethyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C12H20N4O3/c1-8-12(9(2)15-14-8)13-10(17)7-16(3)6-5-11(18)19-4/h5-7H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyUNDPWNOPOLUNQN-UHFFFAOYSA-N
XLogP0.46
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate 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

methyl 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]butanoate
CID 62012696
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683878
methyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-propylamino]acetate
CID 62013494
4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 16645428
2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 54900293
5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
CID 107908306
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-propan-2-yloxyacetamide
CID 112687011
methyl 4-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]butanoate
CID 62013090
methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62012884
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 116652982
2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277200

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate (CID 62011673) is methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate is COC(=O)CCN(C)CC(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate?
The InChIKey is UNDPWNOPOLUNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8-12(9(2)15-14-8)13-10(17)7-16(3)6-5-11(18)19-4/h5-7H2,1-4H3,(H,13,17)(H,14,15).
What are the key properties of methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate?
methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate has a molecular weight of 268.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]propanoate is sourced from PubChem (CID 62011673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).