3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

C14H21N3O3 — CID 95714424

IUPAC3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCC[C@H](C)C(=O)N1CCn2nc(CCC(=O)O)cc2C1
InChIInChI=1S/C14H21N3O3/c1-3-10(2)14(20)16-6-7-17-12(9-16)8-11(15-17)4-5-13(18)19/h8,10H,3-7,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyZQDPNONXQZLBQN-JTQLQIEISA-N
MW279.34 g/mol
LogP1.29
Rot. Bonds5

About 3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (PubChem CID 95714424) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
PubChem CID95714424
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCC[C@H](C)C(=O)N1CCn2nc(CCC(=O)O)cc2C1
InChIInChI=1S/C14H21N3O3/c1-3-10(2)14(20)16-6-7-17-12(9-16)8-11(15-17)4-5-13(18)19/h8,10H,3-7,9H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyZQDPNONXQZLBQN-JTQLQIEISA-N
XLogP1.29
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (CID 95714424) is 3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is CC[C@H](C)C(=O)N1CCn2nc(CCC(=O)O)cc2C1.
What is the InChIKey of 3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The InChIKey is ZQDPNONXQZLBQN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-10(2)14(20)16-6-7-17-12(9-16)8-11(15-17)4-5-13(18)19/h8,10H,3-7,9H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2S)-2-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 95714424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).