(E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine

C18H16ClN3O — CID 46567036

IUPAC(E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine
SMILESCc1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1ccccc1
InChIInChI=1S/C18H16ClN3O/c1-14-17(12-20-23-13-15-8-4-2-5-9-15)18(19)22(21-14)16-10-6-3-7-11-16/h2-12H,13H2,1H3/b20-12+
InChIKeyZKYWXQFWANYYHO-UDWIEESQSA-N
MW325.80 g/mol
LogP4.38
Rot. Bonds5

About (E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine

(E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine (PubChem CID 46567036) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is (E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine
PubChem CID46567036
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name(E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine
SMILESCc1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1ccccc1
InChIInChI=1S/C18H16ClN3O/c1-14-17(12-20-23-13-15-8-4-2-5-9-15)18(19)22(21-14)16-10-6-3-7-11-16/h2-12H,13H2,1H3/b20-12+
InChIKeyZKYWXQFWANYYHO-UDWIEESQSA-N
XLogP4.38
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.38
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

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine
CID 699347
(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
CID 6483733
N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine
CID 2322272
(E)-N-[(6-chloro-3-pyridinyl)methoxy]-1-[5-(4-fluorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methanimine
CID 25148707
(E)-N-[(6-chloro-3-pyridinyl)methoxy]-1-[5-(4-methoxyphenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methanimine
CID 25148449
benzyl N-[3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169472951
methyl 5-chloro-4-[(Z)-(2,6-dichlorophenyl)methoxyiminomethyl]-1-phenylpyrazole-3-carboxylate
CID 6051946
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide
CID 7334401
1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 3319538
(Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine
CID 6597521
1-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-N-phenylmethoxymethanimine
CID 140990096
2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzonitrile
CID 2795287

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine?
The IUPAC name of (E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine (CID 46567036) is (E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine.
What is the SMILES notation for (E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine?
The canonical SMILES for (E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine is Cc1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1ccccc1.
What is the InChIKey of (E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine?
The InChIKey is ZKYWXQFWANYYHO-UDWIEESQSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-14-17(12-20-23-13-15-8-4-2-5-9-15)18(19)22(21-14)16-10-6-3-7-11-16/h2-12H,13H2,1H3/b20-12+.
What are the key properties of (E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine?
(E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine has a molecular weight of 325.80 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 46567036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).