2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid

C10H15N3O3 — CID 81367172

IUPAC2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NCC(C)(C)C(=O)O)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-6-4-7(13-12-6)8(14)11-5-10(2,3)9(15)16/h4H,5H2,1-3H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyVWMAIHKVWGWUJI-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.56
Rot. Bonds4

About 2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid

2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 81367172) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
PubChem CID81367172
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)NCC(C)(C)C(=O)O)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-6-4-7(13-12-6)8(14)11-5-10(2,3)9(15)16/h4H,5H2,1-3H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyVWMAIHKVWGWUJI-UHFFFAOYSA-N
XLogP0.56
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 66174202
5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 47297607
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427297
N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 130978682
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
N-(6-bromohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 141446683
5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 47445811
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 110835219
5-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-3-carboxamide
CID 139018658
N-methoxy-5-methyl-1H-pyrazole-3-carboxamide
CID 126988470
5-ethyl-N-(2-hydroxy-2,3-dimethylpentyl)-1H-pyrazole-3-carboxamide
CID 111478104
2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid
CID 119201770

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid (CID 81367172) is 2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid is Cc1cc(C(=O)NCC(C)(C)C(=O)O)n[nH]1.
What is the InChIKey of 2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is VWMAIHKVWGWUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-4-7(13-12-6)8(14)11-5-10(2,3)9(15)16/h4H,5H2,1-3H3,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81367172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).