1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine

C11H17N3 — CID 82403177

IUPAC1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine
SMILESCc1nn(C)c(C2(N)CC=CC2)c1C
InChIInChI=1S/C11H17N3/c1-8-9(2)13-14(3)10(8)11(12)6-4-5-7-11/h4-5H,6-7,12H2,1-3H3
InChIKeyVBNAFQRJHVANTC-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.54
Rot. Bonds1

About 1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine

1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine (PubChem CID 82403177) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine.

Molecular Properties

Compound Name1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine
PubChem CID82403177
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine
SMILESCc1nn(C)c(C2(N)CC=CC2)c1C
InChIInChI=1S/C11H17N3/c1-8-9(2)13-14(3)10(8)11(12)6-4-5-7-11/h4-5H,6-7,12H2,1-3H3
InChIKeyVBNAFQRJHVANTC-UHFFFAOYSA-N
XLogP1.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine?
The IUPAC name of 1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine (CID 82403177) is 1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine.
What is the SMILES notation for 1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine?
The canonical SMILES for 1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine is Cc1nn(C)c(C2(N)CC=CC2)c1C.
What is the InChIKey of 1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine?
The InChIKey is VBNAFQRJHVANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-9(2)13-14(3)10(8)11(12)6-4-5-7-11/h4-5H,6-7,12H2,1-3H3.
What are the key properties of 1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine?
1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethylpyrazol-3-yl)cyclopent-3-en-1-amine is sourced from PubChem (CID 82403177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).