(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine

C18H17N3O — CID 27718163

IUPAC(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine
SMILESCO/N=C\c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H17N3O/c1-22-19-12-17-14-21(13-15-8-4-2-5-9-15)20-18(17)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3/b19-12-
InChIKeyJQQMWQPRKDHRII-UNOMPAQXSA-N
MW291.35 g/mol
LogP3.58
Rot. Bonds5

About (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine

(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine (PubChem CID 27718163) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine.

Molecular Properties

Compound Name(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine
PubChem CID27718163
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine
SMILESCO/N=C\c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H17N3O/c1-22-19-12-17-14-21(13-15-8-4-2-5-9-15)20-18(17)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3/b19-12-
InChIKeyJQQMWQPRKDHRII-UNOMPAQXSA-N
XLogP3.58
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine?
The IUPAC name of (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine (CID 27718163) is (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine.
What is the SMILES notation for (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine?
The canonical SMILES for (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine is CO/N=C\c1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine?
The InChIKey is JQQMWQPRKDHRII-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H17N3O/c1-22-19-12-17-14-21(13-15-8-4-2-5-9-15)20-18(17)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3/b19-12-.
What are the key properties of (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine?
(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine has a molecular weight of 291.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine is sourced from PubChem (CID 27718163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).