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

C17H29N3O3 — CID 120532617

IUPAC3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCCC(CC)n1ncc(C(=O)NC(CC)(CC)CC(=O)O)c1C
InChIInChI=1S/C17H29N3O3/c1-6-13(7-2)20-12(5)14(11-18-20)16(23)19-17(8-3,9-4)10-15(21)22/h11,13H,6-10H2,1-5H3,(H,19,23)(H,21,22)
InChIKeyKQWQVDGZDWZTSL-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.32
Rot. Bonds9

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

3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid (PubChem CID 120532617) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
PubChem CID120532617
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCCC(CC)n1ncc(C(=O)NC(CC)(CC)CC(=O)O)c1C
InChIInChI=1S/C17H29N3O3/c1-6-13(7-2)20-12(5)14(11-18-20)16(23)19-17(8-3,9-4)10-15(21)22/h11,13H,6-10H2,1-5H3,(H,19,23)(H,21,22)
InChIKeyKQWQVDGZDWZTSL-UHFFFAOYSA-N
XLogP3.32
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 120532558
3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
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
4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515305
2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525842
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
1-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515128
3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120520920
N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 110001403
N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119570951
3-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-ethylpentanoic acid
CID 120532514

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid (CID 120532617) is 3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid is CCC(CC)n1ncc(C(=O)NC(CC)(CC)CC(=O)O)c1C.
What is the InChIKey of 3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is KQWQVDGZDWZTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-6-13(7-2)20-12(5)14(11-18-20)16(23)19-17(8-3,9-4)10-15(21)22/h11,13H,6-10H2,1-5H3,(H,19,23)(H,21,22).
What are the key properties of 3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid?
3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 323.44 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120532617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).