3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid

C17H21N3O3 — CID 119347896

IUPAC3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCCc1c(C(=O)NC(C)CC(=O)O)cnn1Cc1ccccc1
InChIInChI=1S/C17H21N3O3/c1-3-15-14(17(23)19-12(2)9-16(21)22)10-18-20(15)11-13-7-5-4-6-8-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyZSZHPQDVVVNHPO-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.09
Rot. Bonds7

About 3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid

3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid (PubChem CID 119347896) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
PubChem CID119347896
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCCc1c(C(=O)NC(C)CC(=O)O)cnn1Cc1ccccc1
InChIInChI=1S/C17H21N3O3/c1-3-15-14(17(23)19-12(2)9-16(21)22)10-18-20(15)11-13-7-5-4-6-8-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyZSZHPQDVVVNHPO-UHFFFAOYSA-N
XLogP2.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1-benzyl-5-ethylpyrazole-4-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

1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
CID 110890160
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
2-[1-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537627
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873469
1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
CID 78874152
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide
CID 78873081
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide
CID 110891716

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid (CID 119347896) is 3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid is CCc1c(C(=O)NC(C)CC(=O)O)cnn1Cc1ccccc1.
What is the InChIKey of 3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid?
The InChIKey is ZSZHPQDVVVNHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-15-14(17(23)19-12(2)9-16(21)22)10-18-20(15)11-13-7-5-4-6-8-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid?
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119347896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).