3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid

C16H27N3O3 — CID 120532558

IUPAC3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)c1cnn(CC(C)C)c1C
InChIInChI=1S/C16H27N3O3/c1-6-16(7-2,8-14(20)21)18-15(22)13-9-17-19(12(13)5)10-11(3)4/h9,11H,6-8,10H2,1-5H3,(H,18,22)(H,20,21)
InChIKeyCENCLYCFLOWNAS-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.61
Rot. Bonds8

About 3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid

3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid (PubChem CID 120532558) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid
PubChem CID120532558
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)c1cnn(CC(C)C)c1C
InChIInChI=1S/C16H27N3O3/c1-6-16(7-2,8-14(20)21)18-15(22)13-9-17-19(12(13)5)10-11(3)4/h9,11H,6-8,10H2,1-5H3,(H,18,22)(H,20,21)
InChIKeyCENCLYCFLOWNAS-UHFFFAOYSA-N
XLogP2.61
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120532617
1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120512739
4-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-4-phenylbutanoic acid
CID 120518942
2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 120518043
3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 120516454
2-methyl-4-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 120526226
3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-5-methylsulfonylbenzoic acid
CID 120529440
3-ethoxy-2,2-dimethyl-1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 120700193
N-[3-(aminomethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119570951
5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide
CID 122143589
3-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-ethylpentanoic acid
CID 120532514
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 110004266

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid?
The IUPAC name of 3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid (CID 120532558) is 3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for 3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid is CCC(CC)(CC(=O)O)NC(=O)c1cnn(CC(C)C)c1C.
What is the InChIKey of 3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid?
The InChIKey is CENCLYCFLOWNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-6-16(7-2,8-14(20)21)18-15(22)13-9-17-19(12(13)5)10-11(3)4/h9,11H,6-8,10H2,1-5H3,(H,18,22)(H,20,21).
What are the key properties of 3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid?
3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid has a molecular weight of 309.41 g/mol, XLogP of 2.61, 8 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-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 120532558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).