4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid

C15H25N3O3 — CID 120513891

IUPAC4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid
SMILESCCc1c(C(=O)N(C)CCCC(=O)O)cnn1CC(C)C
InChIInChI=1S/C15H25N3O3/c1-5-13-12(9-16-18(13)10-11(2)3)15(21)17(4)8-6-7-14(19)20/h9,11H,5-8,10H2,1-4H3,(H,19,20)
InChIKeyZNWJJEGNUMKMAH-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.04
Rot. Bonds8

About 4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid

4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid (PubChem CID 120513891) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid
PubChem CID120513891
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid
SMILESCCc1c(C(=O)N(C)CCCC(=O)O)cnn1CC(C)C
InChIInChI=1S/C15H25N3O3/c1-5-13-12(9-16-18(13)10-11(2)3)15(21)17(4)8-6-7-14(19)20/h9,11H,5-8,10H2,1-4H3,(H,19,20)
InChIKeyZNWJJEGNUMKMAH-UHFFFAOYSA-N
XLogP2.04
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]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

4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 119135811
4-[4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]phenoxy]butanoic acid
CID 120530769
4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid
CID 119172739
3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 120516454
4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid
CID 119173115
N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659628
1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid
CID 43145815
4-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119346929
2-[1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid
CID 120515511
N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78874071
4-[(1,5-dimethylpyrazole-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 60827421
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109468532

Frequently Asked Questions

What is the IUPAC name of 4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid (CID 120513891) is 4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid is CCc1c(C(=O)N(C)CCCC(=O)O)cnn1CC(C)C.
What is the InChIKey of 4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid?
The InChIKey is ZNWJJEGNUMKMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-13-12(9-16-18(13)10-11(2)3)15(21)17(4)8-6-7-14(19)20/h9,11H,5-8,10H2,1-4H3,(H,19,20).
What are the key properties of 4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid?
4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid is sourced from PubChem (CID 120513891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).