2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine

C9H13N3 — CID 89250424

IUPAC2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine
SMILESC=C(C)/C=C(/C)n1nccc1N
InChIInChI=1S/C9H13N3/c1-7(2)6-8(3)12-9(10)4-5-11-12/h4-6H,1,10H2,2-3H3/b8-6-
InChIKeyKGYCZMPIEDYTBW-VURMDHGXSA-N
MW163.22 g/mol
LogP1.90
Rot. Bonds2

About 2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine

2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine (PubChem CID 89250424) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine
PubChem CID89250424
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine
SMILESC=C(C)/C=C(/C)n1nccc1N
InChIInChI=1S/C9H13N3/c1-7(2)6-8(3)12-9(10)4-5-11-12/h4-6H,1,10H2,2-3H3/b8-6-
InChIKeyKGYCZMPIEDYTBW-VURMDHGXSA-N
XLogP1.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.90
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 2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine?
The IUPAC name of 2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine (CID 89250424) is 2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine.
What is the SMILES notation for 2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine?
The canonical SMILES for 2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine is C=C(C)/C=C(/C)n1nccc1N.
What is the InChIKey of 2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine?
The InChIKey is KGYCZMPIEDYTBW-VURMDHGXSA-N. The full InChI is InChI=1S/C9H13N3/c1-7(2)6-8(3)12-9(10)4-5-11-12/h4-6H,1,10H2,2-3H3/b8-6-.
What are the key properties of 2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine?
2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine has a molecular weight of 163.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine is sourced from PubChem (CID 89250424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).