5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C10H16N4 — CID 130165446

IUPAC5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1n[nH]cc1CN1CC2CNCC2C1
InChIInChI=1S/C10H16N4/c1-8(2-13-12-1)5-14-6-9-3-11-4-10(9)7-14/h1-2,9-11H,3-7H2,(H,12,13)
InChIKeyBLVVAAMEBLMROI-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.06
Rot. Bonds2

About 5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 130165446) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID130165446
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1n[nH]cc1CN1CC2CNCC2C1
InChIInChI=1S/C10H16N4/c1-8(2-13-12-1)5-14-6-9-3-11-4-10(9)7-14/h1-2,9-11H,3-7H2,(H,12,13)
InChIKeyBLVVAAMEBLMROI-UHFFFAOYSA-N
XLogP0.06
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 130165446) is 5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is c1n[nH]cc1CN1CC2CNCC2C1.
What is the InChIKey of 5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is BLVVAAMEBLMROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-8(2-13-12-1)5-14-6-9-3-11-4-10(9)7-14/h1-2,9-11H,3-7H2,(H,12,13).
What are the key properties of 5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 192.27 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 130165446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).