1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine

C23H18ClN3O — CID 140990096

IUPAC1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine
SMILESClc1ccc(-c2cc(C=NOCc3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H18ClN3O/c24-20-13-11-19(12-14-20)23-15-21(26-27(23)22-9-5-2-6-10-22)16-25-28-17-18-7-3-1-4-8-18/h1-16H,17H2
InChIKeyFAQDMPJKOWYIMT-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.74
Rot. Bonds6

About 1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine

1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine (PubChem CID 140990096) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine
PubChem CID140990096
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine
SMILESClc1ccc(-c2cc(C=NOCc3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H18ClN3O/c24-20-13-11-19(12-14-20)23-15-21(26-27(23)22-9-5-2-6-10-22)16-25-28-17-18-7-3-1-4-8-18/h1-16H,17H2
InChIKeyFAQDMPJKOWYIMT-UHFFFAOYSA-N
XLogP5.74
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.74
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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Related Compounds

(E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine
CID 46567036
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
CID 154721614
3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
CID 14497452
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methoxy]methanimine
CID 76856286
[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol
CID 11471651
3-(bromomethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
CID 11450880
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine
CID 5142873
2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid
CID 54484375
N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine
CID 2803585

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine?
The IUPAC name of 1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine (CID 140990096) is 1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine is Clc1ccc(-c2cc(C=NOCc3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine?
The InChIKey is FAQDMPJKOWYIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c24-20-13-11-19(12-14-20)23-15-21(26-27(23)22-9-5-2-6-10-22)16-25-28-17-18-7-3-1-4-8-18/h1-16H,17H2.
What are the key properties of 1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine?
1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine has a molecular weight of 387.87 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine is sourced from PubChem (CID 140990096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).