methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate

C13H21N3O3 — CID 55008582

IUPACmethyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H21N3O3/c1-8(13(18)19-5)7-16(4)12(17)6-11-9(2)14-15-10(11)3/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyVVIWKWSFGPNIIQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.84
Rot. Bonds5

About methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate (PubChem CID 55008582) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate
PubChem CID55008582
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H21N3O3/c1-8(13(18)19-5)7-16(4)12(17)6-11-9(2)14-15-10(11)3/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyVVIWKWSFGPNIIQ-UHFFFAOYSA-N
XLogP0.84
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate 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 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]acetate
CID 43422778
methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 54944904
ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate
CID 61021953
methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 60780721
ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate
CID 23005991
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114951437
methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methylpentanoate
CID 43732460
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82780288
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]acetate
CID 43431213
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxypropyl)acetamide
CID 43501139
methyl 3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoate
CID 66113995
methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate
CID 55008025

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate (CID 55008582) is methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate?
The InChIKey is VVIWKWSFGPNIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(13(18)19-5)7-16(4)12(17)6-11-9(2)14-15-10(11)3/h8H,6-7H2,1-5H3,(H,14,15).
What are the key properties of methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate has a molecular weight of 267.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 55008582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).