(1-hept-6-enylpyrazol-4-yl)methanamine

C11H19N3 — CID 107010332

IUPAC(1-hept-6-enylpyrazol-4-yl)methanamine
SMILESC=CCCCCCn1cc(CN)cn1
InChIInChI=1S/C11H19N3/c1-2-3-4-5-6-7-14-10-11(8-12)9-13-14/h2,9-10H,1,3-8,12H2
InChIKeyHWYGCQDSTIBLJB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.09
Rot. Bonds7

About (1-hept-6-enylpyrazol-4-yl)methanamine

(1-hept-6-enylpyrazol-4-yl)methanamine (PubChem CID 107010332) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (1-hept-6-enylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-hept-6-enylpyrazol-4-yl)methanamine
PubChem CID107010332
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(1-hept-6-enylpyrazol-4-yl)methanamine
SMILESC=CCCCCCn1cc(CN)cn1
InChIInChI=1S/C11H19N3/c1-2-3-4-5-6-7-14-10-11(8-12)9-13-14/h2,9-10H,1,3-8,12H2
InChIKeyHWYGCQDSTIBLJB-UHFFFAOYSA-N
XLogP2.09
TPSA43.84 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 ≤ 52.09
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 (1-hept-6-enylpyrazol-4-yl)methanamine?
The IUPAC name of (1-hept-6-enylpyrazol-4-yl)methanamine (CID 107010332) is (1-hept-6-enylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1-hept-6-enylpyrazol-4-yl)methanamine?
The canonical SMILES for (1-hept-6-enylpyrazol-4-yl)methanamine is C=CCCCCCn1cc(CN)cn1.
What is the InChIKey of (1-hept-6-enylpyrazol-4-yl)methanamine?
The InChIKey is HWYGCQDSTIBLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-3-4-5-6-7-14-10-11(8-12)9-13-14/h2,9-10H,1,3-8,12H2.
What are the key properties of (1-hept-6-enylpyrazol-4-yl)methanamine?
(1-hept-6-enylpyrazol-4-yl)methanamine has a molecular weight of 193.29 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hept-6-enylpyrazol-4-yl)methanamine is sourced from PubChem (CID 107010332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).