methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate

C12H19N3O3 — CID 55008401

IUPACmethyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1cnn(C)c1C
InChIInChI=1S/C12H19N3O3/c1-8(12(17)18-5)7-14(3)11(16)10-6-13-15(4)9(10)2/h6,8H,7H2,1-5H3
InChIKeyFEVXTELYHYPKFC-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.61
Rot. Bonds4

About methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate

methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate (PubChem CID 55008401) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate
PubChem CID55008401
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1cnn(C)c1C
InChIInChI=1S/C12H19N3O3/c1-8(12(17)18-5)7-14(3)11(16)10-6-13-15(4)9(10)2/h6,8H,7H2,1-5H3
InChIKeyFEVXTELYHYPKFC-UHFFFAOYSA-N
XLogP0.61
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 62333069
N-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 63754379
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate
CID 113344254
methyl 4-(1,5-dimethylpyrazol-4-yl)-2-methylbutanoate
CID 146474722
N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 60922468
methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate
CID 103492895
methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate
CID 55007974
methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate
CID 114822109
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 61052680
3-[(1-butyl-5-methylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 122111425
N-(5-bromopentyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 107206006
methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate
CID 55008203

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate (CID 55008401) is methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)c1cnn(C)c1C.
What is the InChIKey of methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate?
The InChIKey is FEVXTELYHYPKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(12(17)18-5)7-14(3)11(16)10-6-13-15(4)9(10)2/h6,8H,7H2,1-5H3.
What are the key properties of methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate?
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate has a molecular weight of 253.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 55008401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).