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

C11H15N3 — CID 89410005

IUPAC5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCn1nccc1C1=CC2CNCC2C1
InChIInChI=1S/C11H15N3/c1-14-11(2-3-13-14)8-4-9-6-12-7-10(9)5-8/h2-4,9-10,12H,5-7H2,1H3
InChIKeyROKYCQAAPGMTHT-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.04
Rot. Bonds1

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

5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 89410005) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID89410005
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCn1nccc1C1=CC2CNCC2C1
InChIInChI=1S/C11H15N3/c1-14-11(2-3-13-14)8-4-9-6-12-7-10(9)5-8/h2-4,9-10,12H,5-7H2,1H3
InChIKeyROKYCQAAPGMTHT-UHFFFAOYSA-N
XLogP1.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of 5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (CID 89410005) is 5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for 5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is Cn1nccc1C1=CC2CNCC2C1.
What is the InChIKey of 5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is ROKYCQAAPGMTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-14-11(2-3-13-14)8-4-9-6-12-7-10(9)5-8/h2-4,9-10,12H,5-7H2,1H3.
What are the key properties of 5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 189.26 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazol-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 89410005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).