2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C15H20N4S — CID 120844166

IUPAC2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESNC1CCC2CN(Cc3cn[nH]c3-c3ccsc3)CC12
InChIInChI=1S/C15H20N4S/c16-14-2-1-10-6-19(8-13(10)14)7-12-5-17-18-15(12)11-3-4-20-9-11/h3-5,9-10,13-14H,1-2,6-8,16H2,(H,17,18)
InChIKeyRYGFGUBYGZFCND-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.31
Rot. Bonds3

About 2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 120844166) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID120844166
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESNC1CCC2CN(Cc3cn[nH]c3-c3ccsc3)CC12
InChIInChI=1S/C15H20N4S/c16-14-2-1-10-6-19(8-13(10)14)7-12-5-17-18-15(12)11-3-4-20-9-11/h3-5,9-10,13-14H,1-2,6-8,16H2,(H,17,18)
InChIKeyRYGFGUBYGZFCND-UHFFFAOYSA-N
XLogP2.31
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of 2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 120844166) is 2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for 2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for 2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is NC1CCC2CN(Cc3cn[nH]c3-c3ccsc3)CC12.
What is the InChIKey of 2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is RYGFGUBYGZFCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c16-14-2-1-10-6-19(8-13(10)14)7-12-5-17-18-15(12)11-3-4-20-9-11/h3-5,9-10,13-14H,1-2,6-8,16H2,(H,17,18).
What are the key properties of 2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 288.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 120844166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).