4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C14H24N4 — CID 114556388

IUPAC4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCCn1nccc1CN1CC2CNCC2C1C
InChIInChI=1S/C14H24N4/c1-3-6-18-13(4-5-16-18)10-17-9-12-7-15-8-14(12)11(17)2/h4-5,11-12,14-15H,3,6-10H2,1-2H3
InChIKeyVDTVTJNOLGZGBK-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.33
Rot. Bonds4

About 4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 114556388) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID114556388
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCCn1nccc1CN1CC2CNCC2C1C
InChIInChI=1S/C14H24N4/c1-3-6-18-13(4-5-16-18)10-17-9-12-7-15-8-14(12)11(17)2/h4-5,11-12,14-15H,3,6-10H2,1-2H3
InChIKeyVDTVTJNOLGZGBK-UHFFFAOYSA-N
XLogP1.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole 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 4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 114556388) is 4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCCn1nccc1CN1CC2CNCC2C1C.
What is the InChIKey of 4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is VDTVTJNOLGZGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-6-18-13(4-5-16-18)10-17-9-12-7-15-8-14(12)11(17)2/h4-5,11-12,14-15H,3,6-10H2,1-2H3.
What are the key properties of 4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 248.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 114556388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).