N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine

C20H21N3O2 — CID 740208

IUPACN-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
SMILESCC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=NO)cc1
InChIInChI=1S/C20H21N3O2/c1-15(2)14-25-19-10-8-16(9-11-19)20-17(12-21-24)13-23(22-20)18-6-4-3-5-7-18/h3-13,15,24H,14H2,1-2H3
InChIKeyOUQJHMZCHIHYGZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.38
Rot. Bonds6

About N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine

N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine (PubChem CID 740208) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
PubChem CID740208
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
SMILESCC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=NO)cc1
InChIInChI=1S/C20H21N3O2/c1-15(2)14-25-19-10-8-16(9-11-19)20-17(12-21-24)13-23(22-20)18-6-4-3-5-7-18/h3-13,15,24H,14H2,1-2H3
InChIKeyOUQJHMZCHIHYGZ-UHFFFAOYSA-N
XLogP4.38
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5399521
(4E)-5-methyl-4-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-phenylpyrazol-3-one
CID 42917278
(E)-2-(1,3-benzothiazol-2-yl)-3-[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 6006009
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423892
N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423837
2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylamino]propanoic acid
CID 120913301
5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5200624
N-[[3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 171150923
2-(4-methylphenyl)-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3707254
3-(2-methoxyethyl)-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3768308
2-(4-methoxyphenyl)-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3451453
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine
CID 2488828

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine (CID 740208) is N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine is CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=NO)cc1.
What is the InChIKey of N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine?
The InChIKey is OUQJHMZCHIHYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15(2)14-25-19-10-8-16(9-11-19)20-17(12-21-24)13-23(22-20)18-6-4-3-5-7-18/h3-13,15,24H,14H2,1-2H3.
What are the key properties of N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine?
N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine has a molecular weight of 335.41 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine is sourced from PubChem (CID 740208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).