3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid

C10H15N3O3 — CID 110835054

IUPAC3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
SMILESCN(C(=O)c1cn[nH]c1)C(C)(C)CC(=O)O
InChIInChI=1S/C10H15N3O3/c1-10(2,4-8(14)15)13(3)9(16)7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,11,12)(H,14,15)
InChIKeyONRQNHRRWBSZSW-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.74
Rot. Bonds4

About 3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid

3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid (PubChem CID 110835054) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
PubChem CID110835054
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
SMILESCN(C(=O)c1cn[nH]c1)C(C)(C)CC(=O)O
InChIInChI=1S/C10H15N3O3/c1-10(2,4-8(14)15)13(3)9(16)7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,11,12)(H,14,15)
InChIKeyONRQNHRRWBSZSW-UHFFFAOYSA-N
XLogP0.74
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[1H-pyrazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54876911
1-(1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63711028
2-[1H-pyrazole-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261464
3,3,3-trifluoro-2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoic acid
CID 79796230
N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide
CID 20784993
N,N-diethyl-1H-pyrazole-4-carboxamide
CID 43582299
N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 43582583
N-ethyl-N-methyl-1H-pyrazole-4-carboxamide
CID 43583075
N-cyclopropyl-N-methyl-1H-pyrazole-4-carboxamide
CID 43583082
N-ethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43583120
N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide
CID 54512924
(2S)-2-(1H-pyrazole-4-carbonylamino)propanoic acid
CID 61132576

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid (CID 110835054) is 3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid is CN(C(=O)c1cn[nH]c1)C(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid?
The InChIKey is ONRQNHRRWBSZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,4-8(14)15)13(3)9(16)7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,11,12)(H,14,15).
What are the key properties of 3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid?
3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110835054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).