4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine

C9H13N3 — CID 142166665

IUPAC4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine
SMILESC/C=C\C(C)=C/c1cn[nH]c1N
InChIInChI=1S/C9H13N3/c1-3-4-7(2)5-8-6-11-12-9(8)10/h3-6H,1-2H3,(H3,10,11,12)/b4-3-,7-5-
InChIKeyIRJOLAVTCRFTPE-MRWCJKGFSA-N
MW163.22 g/mol
LogP1.97
Rot. Bonds2

About 4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine

4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine (PubChem CID 142166665) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine
PubChem CID142166665
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine
SMILESC/C=C\C(C)=C/c1cn[nH]c1N
InChIInChI=1S/C9H13N3/c1-3-4-7(2)5-8-6-11-12-9(8)10/h3-6H,1-2H3,(H3,10,11,12)/b4-3-,7-5-
InChIKeyIRJOLAVTCRFTPE-MRWCJKGFSA-N
XLogP1.97
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 ≤ 51.97
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-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine (CID 142166665) is 4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine is C/C=C\C(C)=C/c1cn[nH]c1N.
What is the InChIKey of 4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine?
The InChIKey is IRJOLAVTCRFTPE-MRWCJKGFSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-4-7(2)5-8-6-11-12-9(8)10/h3-6H,1-2H3,(H3,10,11,12)/b4-3-,7-5-.
What are the key properties of 4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine?
4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine has a molecular weight of 163.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 142166665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).