4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid

C12H14N4O4 — CID 120703114

IUPAC4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid
SMILESCOCCC(NC(=O)c1cnn2cccnc12)C(=O)O
InChIInChI=1S/C12H14N4O4/c1-20-6-3-9(12(18)19)15-11(17)8-7-14-16-5-2-4-13-10(8)16/h2,4-5,7,9H,3,6H2,1H3,(H,15,17)(H,18,19)
InChIKeySQKAOKWRSLEFSM-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.05
Rot. Bonds6

About 4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid

4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid (PubChem CID 120703114) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid
PubChem CID120703114
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid
SMILESCOCCC(NC(=O)c1cnn2cccnc12)C(=O)O
InChIInChI=1S/C12H14N4O4/c1-20-6-3-9(12(18)19)15-11(17)8-7-14-16-5-2-4-13-10(8)16/h2,4-5,7,9H,3,6H2,1H3,(H,15,17)(H,18,19)
InChIKeySQKAOKWRSLEFSM-UHFFFAOYSA-N
XLogP-0.05
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic 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-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52534736
N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39991149
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95275467
methyl (2S)-2-methyl-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoate
CID 94795811
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 94001412
N-[5-chloro-2-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664795
N-[1-(1-adamantyl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414537
N-[1-(dipentylamino)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414546
dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate
CID 5112652
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
tert-butyl N-(2-methoxyethyl)-N-[2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)ethyl]carbamate
CID 75396671
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid?
The IUPAC name of 4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid (CID 120703114) is 4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid.
What is the SMILES notation for 4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid?
The canonical SMILES for 4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid is COCCC(NC(=O)c1cnn2cccnc12)C(=O)O.
What is the InChIKey of 4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid?
The InChIKey is SQKAOKWRSLEFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-20-6-3-9(12(18)19)15-11(17)8-7-14-16-5-2-4-13-10(8)16/h2,4-5,7,9H,3,6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid?
4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid has a molecular weight of 278.27 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid is sourced from PubChem (CID 120703114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).