3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid

C14H18N4O3 — CID 119211732

IUPAC3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cnn2ccc(C)nc12)C(=O)O
InChIInChI=1S/C14H18N4O3/c1-4-8(2)11(14(20)21)17-13(19)10-7-15-18-6-5-9(3)16-12(10)18/h5-8,11H,4H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyNEPOIHKRGQHRJG-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.27
Rot. Bonds5

About 3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid

3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid (PubChem CID 119211732) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
PubChem CID119211732
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cnn2ccc(C)nc12)C(=O)O
InChIInChI=1S/C14H18N4O3/c1-4-8(2)11(14(20)21)17-13(19)10-7-15-18-6-5-9(3)16-12(10)18/h5-8,11H,4H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyNEPOIHKRGQHRJG-UHFFFAOYSA-N
XLogP1.27
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-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

4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119188230
3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)pentanoic acid
CID 103790711
3-methyl-2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120520920
2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119249566
3-methyl-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pentanoic acid
CID 82032893
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136512225
(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 61173952
1-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119132499
2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82032865
(2S,3S)-3-methyl-2-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 120517383
5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119512184
5-[methyl(pyridin-2-yl)amino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677801

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid (CID 119211732) is 3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)c1cnn2ccc(C)nc12)C(=O)O.
What is the InChIKey of 3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is NEPOIHKRGQHRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-8(2)11(14(20)21)17-13(19)10-7-15-18-6-5-9(3)16-12(10)18/h5-8,11H,4H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid?
3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119211732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).