4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid

C12H14N4O3 — CID 119135811

IUPAC4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cnn2cccnc12
InChIInChI=1S/C12H14N4O3/c1-15(6-2-4-10(17)18)12(19)9-8-14-16-7-3-5-13-11(9)16/h3,5,7-8H,2,4,6H2,1H3,(H,17,18)
InChIKeyVHLJNURRJQQDCD-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.67
Rot. Bonds5

About 4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid

4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid (PubChem CID 119135811) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
PubChem CID119135811
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cnn2cccnc12
InChIInChI=1S/C12H14N4O3/c1-15(6-2-4-10(17)18)12(19)9-8-14-16-7-3-5-13-11(9)16/h3,5,7-8H,2,4,6H2,1H3,(H,17,18)
InChIKeyVHLJNURRJQQDCD-UHFFFAOYSA-N
XLogP0.67
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53184947
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid
CID 120513891
N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 121418872
N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 54497154
N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42946251
N-methyl-N-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 47160097
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414447
N-[1-(dipentylamino)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414546
4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid
CID 119172739
4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid
CID 119173115

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid (CID 119135811) is 4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1cnn2cccnc12.
What is the InChIKey of 4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid?
The InChIKey is VHLJNURRJQQDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-15(6-2-4-10(17)18)12(19)9-8-14-16-7-3-5-13-11(9)16/h3,5,7-8H,2,4,6H2,1H3,(H,17,18).
What are the key properties of 4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid?
4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119135811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).