2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid

C14H23N3O3 — CID 83089783

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid
SMILESCCCN(C=O)C(C(=O)O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H23N3O3/c1-6-7-17(9-18)11(13(19)20)10-8-16(5)15-12(10)14(2,3)4/h8-9,11H,6-7H2,1-5H3,(H,19,20)
InChIKeyWBCXHPKXAZJWBG-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.71
Rot. Bonds6

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid (PubChem CID 83089783) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid
PubChem CID83089783
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid
SMILESCCCN(C=O)C(C(=O)O)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H23N3O3/c1-6-7-17(9-18)11(13(19)20)10-8-16(5)15-12(10)14(2,3)4/h8-9,11H,6-7H2,1-5H3,(H,19,20)
InChIKeyWBCXHPKXAZJWBG-UHFFFAOYSA-N
XLogP1.71
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid
CID 79584172
2-[formyl(propyl)amino]-2-(3-propan-2-ylimidazol-4-yl)acetic acid
CID 66162024
ethyl 2-[(3-tert-butyl-1-methylpyrazol-4-yl)-hydroxymethyl]butanoate
CID 83093839
2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid
CID 83088962
2-(5-chloroquinolin-8-yl)-2-[formyl(propyl)amino]acetic acid
CID 115959665
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
CID 83088868
4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentanoic acid
CID 83094443
3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoic acid
CID 83095088
2-[formyl(propyl)amino]-2-(2,4,6-trimethylphenyl)acetic acid
CID 63690018
2-(2-bromo-4,5-dimethoxyphenyl)-2-[formyl(propyl)amino]acetic acid
CID 63687791
2-[ethyl(formyl)amino]-2-(3-propylimidazol-4-yl)acetic acid
CID 66129427
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-ethylamino]acetic acid
CID 83095265

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid (CID 83089783) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid is CCCN(C=O)C(C(=O)O)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid?
The InChIKey is WBCXHPKXAZJWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-7-17(9-18)11(13(19)20)10-8-16(5)15-12(10)14(2,3)4/h8-9,11H,6-7H2,1-5H3,(H,19,20).
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-[formyl(propyl)amino]acetic acid is sourced from PubChem (CID 83089783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).