N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine

C8H13N3 — CID 58824815

IUPACN-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine
SMILESCCNc1n[nH]c2c1CCC2
InChIInChI=1S/C8H13N3/c1-2-9-8-6-4-3-5-7(6)10-11-8/h2-5H2,1H3,(H2,9,10,11)
InChIKeyYQVSBJASQZGSET-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds2

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

N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine (PubChem CID 58824815) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine.

Molecular Properties

Compound NameN-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine
PubChem CID58824815
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine
SMILESCCNc1n[nH]c2c1CCC2
InChIInChI=1S/C8H13N3/c1-2-9-8-6-4-3-5-7(6)10-11-8/h2-5H2,1H3,(H2,9,10,11)
InChIKeyYQVSBJASQZGSET-UHFFFAOYSA-N
XLogP1.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine?
The IUPAC name of N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine (CID 58824815) is N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine.
What is the SMILES notation for N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine?
The canonical SMILES for N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine is CCNc1n[nH]c2c1CCC2.
What is the InChIKey of N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine?
The InChIKey is YQVSBJASQZGSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-9-8-6-4-3-5-7(6)10-11-8/h2-5H2,1H3,(H2,9,10,11).
What are the key properties of N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine?
N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine has a molecular weight of 151.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine is sourced from PubChem (CID 58824815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).