2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid

C11H17N3O3 — CID 62817198

IUPAC2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1c(C(=O)N(C)C(C)(C)C(=O)O)cnn1C
InChIInChI=1S/C11H17N3O3/c1-7-8(6-12-14(7)5)9(15)13(4)11(2,3)10(16)17/h6H,1-5H3,(H,16,17)
InChIKeyXVGZEGBYWRAFQN-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.66
Rot. Bonds3

About 2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid

2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 62817198) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID62817198
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1c(C(=O)N(C)C(C)(C)C(=O)O)cnn1C
InChIInChI=1S/C11H17N3O3/c1-7-8(6-12-14(7)5)9(15)13(4)11(2,3)10(16)17/h6H,1-5H3,(H,16,17)
InChIKeyXVGZEGBYWRAFQN-UHFFFAOYSA-N
XLogP0.66
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119200825
N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61234511
N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 62333069
4-[[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]methyl]benzoic acid
CID 60978715
N-(5-bromopentyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 107206006
2-[(1,5-dimethylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78925294
4-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66237371
tert-butyl 1,5-dimethylpyrazole-4-carboxylate
CID 63897009
2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120518820
N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 79121459
2-(1,5-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
CID 82406813
N,1,5-trimethyl-N-[(1R,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide
CID 94813213

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid (CID 62817198) is 2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid is Cc1c(C(=O)N(C)C(C)(C)C(=O)O)cnn1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is XVGZEGBYWRAFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-8(6-12-14(7)5)9(15)13(4)11(2,3)10(16)17/h6H,1-5H3,(H,16,17).
What are the key properties of 2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid?
2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62817198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).