2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid

C13H16N4O4 — CID 61243482

IUPAC2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCc1cc(C)n2ncc(C(=O)NC(CCO)C(=O)O)c2n1
InChIInChI=1S/C13H16N4O4/c1-7-5-8(2)17-11(15-7)9(6-14-17)12(19)16-10(3-4-18)13(20)21/h5-6,10,18H,3-4H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyLTMKLYLNMQEXBX-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.09
Rot. Bonds5

About 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid

2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 61243482) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID61243482
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCc1cc(C)n2ncc(C(=O)NC(CCO)C(=O)O)c2n1
InChIInChI=1S/C13H16N4O4/c1-7-5-8(2)17-11(15-7)9(6-14-17)12(19)16-10(3-4-18)13(20)21/h5-6,10,18H,3-4H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyLTMKLYLNMQEXBX-UHFFFAOYSA-N
XLogP-0.09
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic 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

N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097804
ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
CID 47494468
N-[2-hydroxy-1-(4-methylphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171674046
5,7-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110226468
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]oxyacetic acid
CID 63913826
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79789809
N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 103825011
N-(4-hydroxypentyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 107300375
N-(2-methoxyethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 79676509
N-(4-anilinophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166204350
N-(2-amino-2-oxoethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 112550550
3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171584

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid (CID 61243482) is 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid is Cc1cc(C)n2ncc(C(=O)NC(CCO)C(=O)O)c2n1.
What is the InChIKey of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is LTMKLYLNMQEXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-7-5-8(2)17-11(15-7)9(6-14-17)12(19)16-10(3-4-18)13(20)21/h5-6,10,18H,3-4H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid?
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 292.30 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61243482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).