2-pentyl-N-prop-2-enylpyrazol-3-amine

C11H19N3 — CID 70354255

IUPAC2-pentyl-N-prop-2-enylpyrazol-3-amine
SMILESC=CCNc1ccnn1CCCCC
InChIInChI=1S/C11H19N3/c1-3-5-6-10-14-11(7-9-13-14)12-8-4-2/h4,7,9,12H,2-3,5-6,8,10H2,1H3
InChIKeyBKJASQVZGDWZOD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.67
Rot. Bonds7

About 2-pentyl-N-prop-2-enylpyrazol-3-amine

2-pentyl-N-prop-2-enylpyrazol-3-amine (PubChem CID 70354255) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-pentyl-N-prop-2-enylpyrazol-3-amine.

Molecular Properties

Compound Name2-pentyl-N-prop-2-enylpyrazol-3-amine
PubChem CID70354255
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-pentyl-N-prop-2-enylpyrazol-3-amine
SMILESC=CCNc1ccnn1CCCCC
InChIInChI=1S/C11H19N3/c1-3-5-6-10-14-11(7-9-13-14)12-8-4-2/h4,7,9,12H,2-3,5-6,8,10H2,1H3
InChIKeyBKJASQVZGDWZOD-UHFFFAOYSA-N
XLogP2.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentyl-N-prop-2-enylpyrazol-3-amine?
The IUPAC name of 2-pentyl-N-prop-2-enylpyrazol-3-amine (CID 70354255) is 2-pentyl-N-prop-2-enylpyrazol-3-amine.
What is the SMILES notation for 2-pentyl-N-prop-2-enylpyrazol-3-amine?
The canonical SMILES for 2-pentyl-N-prop-2-enylpyrazol-3-amine is C=CCNc1ccnn1CCCCC.
What is the InChIKey of 2-pentyl-N-prop-2-enylpyrazol-3-amine?
The InChIKey is BKJASQVZGDWZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-5-6-10-14-11(7-9-13-14)12-8-4-2/h4,7,9,12H,2-3,5-6,8,10H2,1H3.
What are the key properties of 2-pentyl-N-prop-2-enylpyrazol-3-amine?
2-pentyl-N-prop-2-enylpyrazol-3-amine has a molecular weight of 193.29 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-N-prop-2-enylpyrazol-3-amine is sourced from PubChem (CID 70354255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).