ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen

C10H21N3 — CID 161362951

IUPACethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen
SMILESCC.CCNc1n[nH]c2c1CCC2.[H][H]
InChIInChI=1S/C8H13N3.C2H6.H2/c1-2-9-8-6-4-3-5-7(6)10-11-8;1-2;/h2-5H2,1H3,(H2,9,10,11);1-2H3;1H
InChIKeyVPKUCYPSKKPYOR-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.60
Rot. Bonds2

About ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen

ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen (PubChem CID 161362951) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen
PubChem CID161362951
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Nameethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen
SMILESCC.CCNc1n[nH]c2c1CCC2.[H][H]
InChIInChI=1S/C8H13N3.C2H6.H2/c1-2-9-8-6-4-3-5-7(6)10-11-8;1-2;/h2-5H2,1H3,(H2,9,10,11);1-2H3;1H
InChIKeyVPKUCYPSKKPYOR-UHFFFAOYSA-N
XLogP2.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen?
The IUPAC name of ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen (CID 161362951) is ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen.
What is the SMILES notation for ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen?
The canonical SMILES for ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen is CC.CCNc1n[nH]c2c1CCC2.[H][H].
What is the InChIKey of ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen?
The InChIKey is VPKUCYPSKKPYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.C2H6.H2/c1-2-9-8-6-4-3-5-7(6)10-11-8;1-2;/h2-5H2,1H3,(H2,9,10,11);1-2H3;1H.
What are the key properties of ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen?
ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen has a molecular weight of 183.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen is sourced from PubChem (CID 161362951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).