(3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid

C15H18N4O2 — CID 122063173

IUPAC(3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
SMILESCc1cc2c(N3C[C@@H]4CCC[C@@]4(C(=O)O)C3)nccn2n1
InChIInChI=1S/C15H18N4O2/c1-10-7-12-13(16-5-6-19(12)17-10)18-8-11-3-2-4-15(11,9-18)14(20)21/h5-7,11H,2-4,8-9H2,1H3,(H,20,21)/t11-,15+/m0/s1
InChIKeyMGLVHYRLHSPRMX-XHDPSFHLSA-N
MW286.33 g/mol
LogP1.73
Rot. Bonds2

About (3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid

(3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid (PubChem CID 122063173) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid.

Molecular Properties

Compound Name(3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
PubChem CID122063173
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
SMILESCc1cc2c(N3C[C@@H]4CCC[C@@]4(C(=O)O)C3)nccn2n1
InChIInChI=1S/C15H18N4O2/c1-10-7-12-13(16-5-6-19(12)17-10)18-8-11-3-2-4-15(11,9-18)14(20)21/h5-7,11H,2-4,8-9H2,1H3,(H,20,21)/t11-,15+/m0/s1
InChIKeyMGLVHYRLHSPRMX-XHDPSFHLSA-N
XLogP1.73
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid with MolForge

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Related Compounds

3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid
CID 104729524
N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]acetamide
CID 133489997
2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid
CID 104729670
4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
CID 104733876
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylic acid
CID 104729453
(3aS,6aR)-2-(8-methylquinazolin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063260
(3aS,6aR)-2-(6-methyl-3-nitro-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063268
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]ethanone
CID 172891987
1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-2-yl]ethanone
CID 113446200
(3aS,6aR)-2-(4-methoxypyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063579
(3aS,6aR)-2-(3-propan-2-yloxycarbonyl-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063217
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-one
CID 104730047

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
The IUPAC name of (3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid (CID 122063173) is (3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid.
What is the SMILES notation for (3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
The canonical SMILES for (3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid is Cc1cc2c(N3C[C@@H]4CCC[C@@]4(C(=O)O)C3)nccn2n1.
What is the InChIKey of (3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
The InChIKey is MGLVHYRLHSPRMX-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-7-12-13(16-5-6-19(12)17-10)18-8-11-3-2-4-15(11,9-18)14(20)21/h5-7,11H,2-4,8-9H2,1H3,(H,20,21)/t11-,15+/m0/s1.
What are the key properties of (3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid?
(3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 122063173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).