5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C13H22N4 — CID 177116534

IUPAC5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cnn(N2CC3CN(C(C)C)CC3C2)c1
InChIInChI=1S/C13H22N4/c1-10(2)15-6-12-8-16(9-13(12)7-15)17-5-11(3)4-14-17/h4-5,10,12-13H,6-9H2,1-3H3
InChIKeyUTNPVEXIUFYECD-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.10
Rot. Bonds2

About 5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 177116534) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID177116534
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cnn(N2CC3CN(C(C)C)CC3C2)c1
InChIInChI=1S/C13H22N4/c1-10(2)15-6-12-8-16(9-13(12)7-15)17-5-11(3)4-14-17/h4-5,10,12-13H,6-9H2,1-3H3
InChIKeyUTNPVEXIUFYECD-UHFFFAOYSA-N
XLogP1.10
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 177116534) is 5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1cnn(N2CC3CN(C(C)C)CC3C2)c1.
What is the InChIKey of 5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is UTNPVEXIUFYECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)15-6-12-8-16(9-13(12)7-15)17-5-11(3)4-14-17/h4-5,10,12-13H,6-9H2,1-3H3.
What are the key properties of 5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 234.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpyrazol-1-yl)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 177116534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).