(6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

C16H24N4O3 — CID 122458902

IUPAC(6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESC[C@H]1Cn2nc(C(C)(C)C)c(N3CCCC3=O)c2CN1C(=O)O
InChIInChI=1S/C16H24N4O3/c1-10-8-20-11(9-19(10)15(22)23)13(14(17-20)16(2,3)4)18-7-5-6-12(18)21/h10H,5-9H2,1-4H3,(H,22,23)/t10-/m0/s1
InChIKeyBTJPOJGPLWXDHP-JTQLQIEISA-N
MW320.39 g/mol
LogP2.19
Rot. Bonds1

About (6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

(6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (PubChem CID 122458902) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name(6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
PubChem CID122458902
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESC[C@H]1Cn2nc(C(C)(C)C)c(N3CCCC3=O)c2CN1C(=O)O
InChIInChI=1S/C16H24N4O3/c1-10-8-20-11(9-19(10)15(22)23)13(14(17-20)16(2,3)4)18-7-5-6-12(18)21/h10H,5-9H2,1-4H3,(H,22,23)/t10-/m0/s1
InChIKeyBTJPOJGPLWXDHP-JTQLQIEISA-N
XLogP2.19
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic 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

(2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid
CID 177212552
(6S)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 121484618
(6S)-3-(2-hydroxy-1-methoxy-1-oxopropan-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 121483933
(6S)-2-(4-chlorophenyl)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 170327586
(6S)-3-[4-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 146192944
1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
CID 149271372
tert-butyl (6S)-6-methyl-3-(4-methylsulfanyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 131749255
tert-butyl 6-methyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 145121306
tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121483852
(2R)-2-methyl-5-oxo-4-(3-piperidin-1-ylpropyl)-1,4-diazepane-1-carboxylic acid
CID 68536511
1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948471
(6S)-3-(1-methoxy-4-nitro-1-oxobutan-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 121484483

Frequently Asked Questions

What is the IUPAC name of (6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The IUPAC name of (6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (CID 122458902) is (6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.
What is the SMILES notation for (6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The canonical SMILES for (6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is C[C@H]1Cn2nc(C(C)(C)C)c(N3CCCC3=O)c2CN1C(=O)O.
What is the InChIKey of (6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The InChIKey is BTJPOJGPLWXDHP-JTQLQIEISA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10-8-20-11(9-19(10)15(22)23)13(14(17-20)16(2,3)4)18-7-5-6-12(18)21/h10H,5-9H2,1-4H3,(H,22,23)/t10-/m0/s1.
What are the key properties of (6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
(6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-tert-butyl-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 122458902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).