3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid

C10H17N3O2 — CID 102805303

IUPAC3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid
SMILESCc1nn(C)cc1NC(C)C(C)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-6(10(14)15)7(2)11-9-5-13(4)12-8(9)3/h5-7,11H,1-4H3,(H,14,15)
InChIKeyDTEHHJQZWQUGSS-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.25
Rot. Bonds4

About 3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid

3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid (PubChem CID 102805303) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid
PubChem CID102805303
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid
SMILESCc1nn(C)cc1NC(C)C(C)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-6(10(14)15)7(2)11-9-5-13(4)12-8(9)3/h5-7,11H,1-4H3,(H,14,15)
InChIKeyDTEHHJQZWQUGSS-UHFFFAOYSA-N
XLogP1.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide
CID 102805494
N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine
CID 104955905
2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid
CID 102803966
2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
CID 130502699
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990
[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
CID 104955781
2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487828
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 103791188
(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
CID 103811522
2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 102805652
4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol
CID 102804155
4-[(1,3-dimethylpyrazol-4-yl)amino]benzoic acid
CID 102805860

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid (CID 102805303) is 3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid is Cc1nn(C)cc1NC(C)C(C)C(=O)O.
What is the InChIKey of 3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid?
The InChIKey is DTEHHJQZWQUGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(10(14)15)7(2)11-9-5-13(4)12-8(9)3/h5-7,11H,1-4H3,(H,14,15).
What are the key properties of 3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid?
3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 102805303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).