3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid

C13H21N3O3 — CID 43360868

IUPAC3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
SMILESCCn1nc(C(C)C)cc1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C13H21N3O3/c1-5-16-11(7-10(15-16)8(2)3)13(19)14-9(4)6-12(17)18/h7-9H,5-6H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyJFZFDGPKALMMJQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.62
Rot. Bonds6

About 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid

3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid (PubChem CID 43360868) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
PubChem CID43360868
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
SMILESCCn1nc(C(C)C)cc1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C13H21N3O3/c1-5-16-11(7-10(15-16)8(2)3)13(19)14-9(4)6-12(17)18/h7-9H,5-6H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyJFZFDGPKALMMJQ-UHFFFAOYSA-N
XLogP1.62
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic 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

5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid
CID 82845310
(2S,3R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 104965026
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 43170287
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357745
(2S)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pentanoic acid
CID 107564294
(2R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823246
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 61247059
1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103782574
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 106164346
1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70726085
3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide
CID 122171294

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid (CID 43360868) is 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid is CCn1nc(C(C)C)cc1C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid?
The InChIKey is JFZFDGPKALMMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-16-11(7-10(15-16)8(2)3)13(19)14-9(4)6-12(17)18/h7-9H,5-6H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid?
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43360868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).