2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid

C11H17N3O3 — CID 79584172

IUPAC2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid
SMILESCCCN(C=O)C(C(=O)O)c1cnn(C)c1C
InChIInChI=1S/C11H17N3O3/c1-4-5-14(7-15)10(11(16)17)9-6-12-13(3)8(9)2/h6-7,10H,4-5H2,1-3H3,(H,16,17)
InChIKeyWZGGASIDUQHZGI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.72
Rot. Bonds6

About 2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid

2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid (PubChem CID 79584172) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid
PubChem CID79584172
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid
SMILESCCCN(C=O)C(C(=O)O)c1cnn(C)c1C
InChIInChI=1S/C11H17N3O3/c1-4-5-14(7-15)10(11(16)17)9-6-12-13(3)8(9)2/h6-7,10H,4-5H2,1-3H3,(H,16,17)
InChIKeyWZGGASIDUQHZGI-UHFFFAOYSA-N
XLogP0.72
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[formyl(propyl)amino]-2-(3-propan-2-ylimidazol-4-yl)acetic acid
CID 66162024
2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid
CID 63690018
2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]pentanoic acid
CID 83042350
2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid
CID 66129427
(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
2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid
CID 115959665
1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
CID 79584948
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid
CID 79595352
2-chloro-2-(1,5-dimethylpyrazol-4-yl)-N-ethylacetamide
CID 79584700

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid (CID 79584172) is 2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid is CCCN(C=O)C(C(=O)O)c1cnn(C)c1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid?
The InChIKey is WZGGASIDUQHZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-5-14(7-15)10(11(16)17)9-6-12-13(3)8(9)2/h6-7,10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid?
2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid is sourced from PubChem (CID 79584172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).