2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid

C13H21N3O3 — CID 66121962

IUPAC2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc(CC)nn1CC
InChIInChI=1S/C13H21N3O3/c1-4-7-15(9-12(17)18)13(19)11-8-10(5-2)14-16(11)6-3/h8H,4-7,9H2,1-3H3,(H,17,18)
InChIKeySFFBNTGLTHXMDF-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.40
Rot. Bonds7

About 2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid

2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid (PubChem CID 66121962) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid
PubChem CID66121962
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc(CC)nn1CC
InChIInChI=1S/C13H21N3O3/c1-4-7-15(9-12(17)18)13(19)11-8-10(5-2)14-16(11)6-3/h8H,4-7,9H2,1-3H3,(H,17,18)
InChIKeySFFBNTGLTHXMDF-UHFFFAOYSA-N
XLogP1.40
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]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-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid
CID 66121770
2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid
CID 107434236
N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide
CID 66120244
3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid
CID 66121181
N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 104556601
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)-propylamino]acetic acid
CID 61009084
2-[(2-methylpyrazole-3-carbonyl)-propylamino]acetic acid
CID 61006717
N-(3-bromopropyl)-1,3-diethyl-N-propan-2-ylpyrazole-5-carboxamide
CID 80661593
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 66121022
2-[(1-ethyl-4-nitropyrrole-2-carbonyl)-propylamino]acetic acid
CID 61008789
N-(3-aminopropyl)-N-cyclopropyl-1,3-diethylpyrazole-5-carboxamide
CID 66121370

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid (CID 66121962) is 2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1cc(CC)nn1CC.
What is the InChIKey of 2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid?
The InChIKey is SFFBNTGLTHXMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-7-15(9-12(17)18)13(19)11-8-10(5-2)14-16(11)6-3/h8H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid?
2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 66121962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).