2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid

C13H21N3O3 — CID 120523692

IUPAC2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCC(CC)n1ncc(C(=O)NC(C)C(=O)O)c1C
InChIInChI=1S/C13H21N3O3/c1-5-10(6-2)16-9(4)11(7-14-16)12(17)15-8(3)13(18)19/h7-8,10H,5-6H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyFWWIQDVZDAHZOV-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.76
Rot. Bonds6

About 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid

2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 120523692) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID120523692
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCC(CC)n1ncc(C(=O)NC(C)C(=O)O)c1C
InChIInChI=1S/C13H21N3O3/c1-5-10(6-2)16-9(4)11(7-14-16)12(17)15-8(3)13(18)19/h7-8,10H,5-6H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyFWWIQDVZDAHZOV-UHFFFAOYSA-N
XLogP1.76
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120520920
3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
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-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120537175
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120532617
4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515305
2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 115731144
(2S)-2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 103790993
1-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515128
1,5-dimethyl-N-(3-oxopentan-2-yl)pyrazole-4-carboxamide
CID 64991676

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid (CID 120523692) is 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid is CCC(CC)n1ncc(C(=O)NC(C)C(=O)O)c1C.
What is the InChIKey of 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is FWWIQDVZDAHZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-10(6-2)16-9(4)11(7-14-16)12(17)15-8(3)13(18)19/h7-8,10H,5-6H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid?
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120523692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).