2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione

C19H27N5O3 — CID 156610633

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
SMILESCc1c(CN2CC3C(=O)N(CCCN4CCCC4=O)C(=O)C3C2)cnn1C
InChIInChI=1S/C19H27N5O3/c1-13-14(9-20-21(13)2)10-22-11-15-16(12-22)19(27)24(18(15)26)8-4-7-23-6-3-5-17(23)25/h9,15-16H,3-8,10-12H2,1-2H3
InChIKeyHTIRAVORUXNNPX-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.16
Rot. Bonds6

About 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione

2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 156610633) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID156610633
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
SMILESCc1c(CN2CC3C(=O)N(CCCN4CCCC4=O)C(=O)C3C2)cnn1C
InChIInChI=1S/C19H27N5O3/c1-13-14(9-20-21(13)2)10-22-11-15-16(12-22)19(27)24(18(15)26)8-4-7-23-6-3-5-17(23)25/h9,15-16H,3-8,10-12H2,1-2H3
InChIKeyHTIRAVORUXNNPX-UHFFFAOYSA-N
XLogP0.16
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione (CID 156610633) is 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is Cc1c(CN2CC3C(=O)N(CCCN4CCCC4=O)C(=O)C3C2)cnn1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is HTIRAVORUXNNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-13-14(9-20-21(13)2)10-22-11-15-16(12-22)19(27)24(18(15)26)8-4-7-23-6-3-5-17(23)25/h9,15-16H,3-8,10-12H2,1-2H3.
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 373.46 g/mol, XLogP of 0.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 156610633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).