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

C16H27N3O3 — CID 120520920

IUPAC3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cnn(C(CC)CC)c1C)C(=O)O
InChIInChI=1S/C16H27N3O3/c1-6-10(4)14(16(21)22)18-15(20)13-9-17-19(11(13)5)12(7-2)8-3/h9-10,12,14H,6-8H2,1-5H3,(H,18,20)(H,21,22)
InChIKeyGXAMMLVKHRDVMZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.78
Rot. Bonds8

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

3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid (PubChem CID 120520920) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
PubChem CID120520920
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cnn(C(CC)CC)c1C)C(=O)O
InChIInChI=1S/C16H27N3O3/c1-6-10(4)14(16(21)22)18-15(20)13-9-17-19(11(13)5)12(7-2)8-3/h9-10,12,14H,6-8H2,1-5H3,(H,18,20)(H,21,22)
InChIKeyGXAMMLVKHRDVMZ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic 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

2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
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
(2S,3S)-3-methyl-2-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 120517383
3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120537175
N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 110001403
3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)pentanoic acid
CID 103790711
3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119211732
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
3-methyl-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]pentanoic acid
CID 119212172
3-ethyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120532617
1-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515128

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid (CID 120520920) is 3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)c1cnn(C(CC)CC)c1C)C(=O)O.
What is the InChIKey of 3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is GXAMMLVKHRDVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-6-10(4)14(16(21)22)18-15(20)13-9-17-19(11(13)5)12(7-2)8-3/h9-10,12,14H,6-8H2,1-5H3,(H,18,20)(H,21,22).
What are the key properties of 3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid?
3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 309.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120520920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).