4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid

C9H15N3O2 — CID 79595352

IUPAC4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid
SMILESCc1c(C(CN)CC(=O)O)cnn1C
InChIInChI=1S/C9H15N3O2/c1-6-8(5-11-12(6)2)7(4-10)3-9(13)14/h5,7H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyWVGACURJOMNEPJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.25
Rot. Bonds4

About 4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid

4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid (PubChem CID 79595352) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid
PubChem CID79595352
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid
SMILESCc1c(C(CN)CC(=O)O)cnn1C
InChIInChI=1S/C9H15N3O2/c1-6-8(5-11-12(6)2)7(4-10)3-9(13)14/h5,7H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyWVGACURJOMNEPJ-UHFFFAOYSA-N
XLogP0.25
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79595015
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
(3S)-3-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 79584929
3-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
CID 84803278
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 96631923
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 43696294
4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid
CID 79584024
4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid
CID 84676112
5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide
CID 104683752

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid?
The IUPAC name of 4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid (CID 79595352) is 4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid.
What is the SMILES notation for 4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid?
The canonical SMILES for 4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid is Cc1c(C(CN)CC(=O)O)cnn1C.
What is the InChIKey of 4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid?
The InChIKey is WVGACURJOMNEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-8(5-11-12(6)2)7(4-10)3-9(13)14/h5,7H,3-4,10H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid?
4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid is sourced from PubChem (CID 79595352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).