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

C14H18N4O3 — CID 79789809

IUPAC2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cnn2c(C)cc(C)nc12)C(=O)O
InChIInChI=1S/C14H18N4O3/c1-5-14(4,13(20)21)17-12(19)10-7-15-18-9(3)6-8(2)16-11(10)18/h6-7H,5H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyXQERMQZZVRIMIO-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.33
Rot. Bonds4

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

2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 79789809) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid
PubChem CID79789809
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cnn2c(C)cc(C)nc12)C(=O)O
InChIInChI=1S/C14H18N4O3/c1-5-14(4,13(20)21)17-12(19)10-7-15-18-9(3)6-8(2)16-11(10)18/h6-7H,5H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyXQERMQZZVRIMIO-UHFFFAOYSA-N
XLogP1.33
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171584
N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097804
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]oxyacetic acid
CID 63913826
ethyl 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
CID 47494468
N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 103825011
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243482
N-(2-methoxyethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 79676509
N-(2-amino-2-oxoethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 112550550
N-[2-(diethylamino)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440824
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65453460
N-(4-hydroxypentyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 107300375
5,7-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110226468

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid (CID 79789809) is 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1cnn2c(C)cc(C)nc12)C(=O)O.
What is the InChIKey of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is XQERMQZZVRIMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-5-14(4,13(20)21)17-12(19)10-7-15-18-9(3)6-8(2)16-11(10)18/h6-7H,5H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid?
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79789809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).