N-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine

C10H15N3 — CID 137476651

IUPACN-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine
SMILESC=C/C=C(\CC)Nc1ccn(C)n1
InChIInChI=1S/C10H15N3/c1-4-6-9(5-2)11-10-7-8-13(3)12-10/h4,6-8H,1,5H2,2-3H3,(H,11,12)/b9-6+
InChIKeyWIXNZWLLCYNUNW-RMKNXTFCSA-N
MW177.25 g/mol
LogP2.31
Rot. Bonds4

About N-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine

N-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine (PubChem CID 137476651) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine
PubChem CID137476651
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine
SMILESC=C/C=C(\CC)Nc1ccn(C)n1
InChIInChI=1S/C10H15N3/c1-4-6-9(5-2)11-10-7-8-13(3)12-10/h4,6-8H,1,5H2,2-3H3,(H,11,12)/b9-6+
InChIKeyWIXNZWLLCYNUNW-RMKNXTFCSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine (CID 137476651) is N-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine is C=C/C=C(\CC)Nc1ccn(C)n1.
What is the InChIKey of N-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine?
The InChIKey is WIXNZWLLCYNUNW-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-6-9(5-2)11-10-7-8-13(3)12-10/h4,6-8H,1,5H2,2-3H3,(H,11,12)/b9-6+.
What are the key properties of N-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine?
N-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine has a molecular weight of 177.25 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hexa-3,5-dien-3-yl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 137476651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).