(Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium

C16H20N3O+ — CID 59013565

IUPAC(Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium
SMILESO/[N+](=C\c1ccccc1-n1cccn1)C1CCCCC1
InChIInChI=1S/C16H20N3O/c20-19(15-8-2-1-3-9-15)13-14-7-4-5-10-16(14)18-12-6-11-17-18/h4-7,10-13,15,20H,1-3,8-9H2/q+1
InChIKeyPUWJOBDFFHUGFC-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.03
Rot. Bonds3

About (Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium

(Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium (PubChem CID 59013565) has the molecular formula C16H20N3O+ and a molecular weight of 270.36 g/mol. Its IUPAC name is (Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium.

Molecular Properties

Compound Name(Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium
PubChem CID59013565
Molecular FormulaC16H20N3O+
Molecular Weight270.36 g/mol
Exact Mass270.16
IUPAC Name(Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium
SMILESO/[N+](=C\c1ccccc1-n1cccn1)C1CCCCC1
InChIInChI=1S/C16H20N3O/c20-19(15-8-2-1-3-9-15)13-14-7-4-5-10-16(14)18-12-6-11-17-18/h4-7,10-13,15,20H,1-3,8-9H2/q+1
InChIKeyPUWJOBDFFHUGFC-UHFFFAOYSA-N
XLogP3.03
TPSA41.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium?
The IUPAC name of (Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium (CID 59013565) is (Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium.
What is the SMILES notation for (Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium?
The canonical SMILES for (Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium is O/[N+](=C\c1ccccc1-n1cccn1)C1CCCCC1.
What is the InChIKey of (Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium?
The InChIKey is PUWJOBDFFHUGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N3O/c20-19(15-8-2-1-3-9-15)13-14-7-4-5-10-16(14)18-12-6-11-17-18/h4-7,10-13,15,20H,1-3,8-9H2/q+1.
What are the key properties of (Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium?
(Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium has a molecular weight of 270.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium is sourced from PubChem (CID 59013565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).