4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine

C11H15N3 — CID 144515390

IUPAC4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine
SMILESC=C/C=C(\C=C(C)C)c1cn[nH]c1N
InChIInChI=1S/C11H15N3/c1-4-5-9(6-8(2)3)10-7-13-14-11(10)12/h4-7H,1H2,2-3H3,(H3,12,13,14)/b9-5+
InChIKeyMCQZRNGIVNYHHV-WEVVVXLNSA-N
MW189.26 g/mol
LogP2.53
Rot. Bonds3

About 4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine

4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine (PubChem CID 144515390) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine
PubChem CID144515390
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine
SMILESC=C/C=C(\C=C(C)C)c1cn[nH]c1N
InChIInChI=1S/C11H15N3/c1-4-5-9(6-8(2)3)10-7-13-14-11(10)12/h4-7H,1H2,2-3H3,(H3,12,13,14)/b9-5+
InChIKeyMCQZRNGIVNYHHV-WEVVVXLNSA-N
XLogP2.53
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine (CID 144515390) is 4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine is C=C/C=C(\C=C(C)C)c1cn[nH]c1N.
What is the InChIKey of 4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine?
The InChIKey is MCQZRNGIVNYHHV-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-5-9(6-8(2)3)10-7-13-14-11(10)12/h4-7H,1H2,2-3H3,(H3,12,13,14)/b9-5+.
What are the key properties of 4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine?
4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine has a molecular weight of 189.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-6-methylhepta-1,3,5-trien-4-yl]-1H-pyrazol-5-amine is sourced from PubChem (CID 144515390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).