4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine

C9H13N3 — CID 89088651

IUPAC4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine
SMILESC/C=C\C=C/c1[nH]nc(N)c1C
InChIInChI=1S/C9H13N3/c1-3-4-5-6-8-7(2)9(10)12-11-8/h3-6H,1-2H3,(H3,10,11,12)/b4-3-,6-5-
InChIKeyIVNKKHZDLFCQEL-OUPQRBNQSA-N
MW163.22 g/mol
LogP1.89
Rot. Bonds2

About 4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine

4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine (PubChem CID 89088651) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine
PubChem CID89088651
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine
SMILESC/C=C\C=C/c1[nH]nc(N)c1C
InChIInChI=1S/C9H13N3/c1-3-4-5-6-8-7(2)9(10)12-11-8/h3-6H,1-2H3,(H3,10,11,12)/b4-3-,6-5-
InChIKeyIVNKKHZDLFCQEL-OUPQRBNQSA-N
XLogP1.89
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.89
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-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine?
The IUPAC name of 4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine (CID 89088651) is 4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine?
The canonical SMILES for 4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine is C/C=C\C=C/c1[nH]nc(N)c1C.
What is the InChIKey of 4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine?
The InChIKey is IVNKKHZDLFCQEL-OUPQRBNQSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-4-5-6-8-7(2)9(10)12-11-8/h3-6H,1-2H3,(H3,10,11,12)/b4-3-,6-5-.
What are the key properties of 4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine?
4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine has a molecular weight of 163.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 89088651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).