3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid

C14H23N3O3 — CID 120522803

IUPAC3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCCC(CC)n1ncc(C(=O)NC(C)CC(=O)O)c1C
InChIInChI=1S/C14H23N3O3/c1-5-11(6-2)17-10(4)12(8-15-17)14(20)16-9(3)7-13(18)19/h8-9,11H,5-7H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyFTOFSAYMGKGOBS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.15
Rot. Bonds7

About 3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid

3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid (PubChem CID 120522803) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
PubChem CID120522803
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCCC(CC)n1ncc(C(=O)NC(C)CC(=O)O)c1C
InChIInChI=1S/C14H23N3O3/c1-5-11(6-2)17-10(4)12(8-15-17)14(20)16-9(3)7-13(18)19/h8-9,11H,5-7H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyFTOFSAYMGKGOBS-UHFFFAOYSA-N
XLogP2.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120537175
3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120520920
2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525842
N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 110001403
3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120532617
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515305
5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide
CID 122141640
1-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515128
2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid
CID 120524856
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid (CID 120522803) is 3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid is CCC(CC)n1ncc(C(=O)NC(C)CC(=O)O)c1C.
What is the InChIKey of 3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid?
The InChIKey is FTOFSAYMGKGOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-11(6-2)17-10(4)12(8-15-17)14(20)16-9(3)7-13(18)19/h8-9,11H,5-7H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid?
3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid has a molecular weight of 281.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120522803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).