N-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine

C10H13N3 — CID 134375670

IUPACN-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)c1cnn(C)c1
InChIInChI=1S/C10H13N3/c1-4-5-9(6-11-2)10-7-12-13(3)8-10/h4-8H,2H2,1,3H3/b5-4-,9-6+
InChIKeyZSFWEWLMPMGERC-KMOPYBJPSA-N
MW175.23 g/mol
LogP2.04
Rot. Bonds3

About N-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine

N-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine (PubChem CID 134375670) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine
PubChem CID134375670
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)c1cnn(C)c1
InChIInChI=1S/C10H13N3/c1-4-5-9(6-11-2)10-7-12-13(3)8-10/h4-8H,2H2,1,3H3/b5-4-,9-6+
InChIKeyZSFWEWLMPMGERC-KMOPYBJPSA-N
XLogP2.04
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine (CID 134375670) is N-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine is C=N/C=C(\C=C/C)c1cnn(C)c1.
What is the InChIKey of N-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine?
The InChIKey is ZSFWEWLMPMGERC-KMOPYBJPSA-N. The full InChI is InChI=1S/C10H13N3/c1-4-5-9(6-11-2)10-7-12-13(3)8-10/h4-8H,2H2,1,3H3/b5-4-,9-6+.
What are the key properties of N-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine?
N-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine has a molecular weight of 175.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-(1-methylpyrazol-4-yl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 134375670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).