(NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine

C13H15N3O2 — CID 11075713

IUPAC(NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine
SMILESCOc1c(/C(C)=N\O)c(C)nn1-c1ccccc1
InChIInChI=1S/C13H15N3O2/c1-9-12(10(2)15-17)13(18-3)16(14-9)11-7-5-4-6-8-11/h4-8,17H,1-3H3/b15-10-
InChIKeyFRWYSXPQVPOJON-GDNBJRDFSA-N
MW245.28 g/mol
LogP2.39
Rot. Bonds3

About (NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine

(NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine (PubChem CID 11075713) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine
PubChem CID11075713
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine
SMILESCOc1c(/C(C)=N\O)c(C)nn1-c1ccccc1
InChIInChI=1S/C13H15N3O2/c1-9-12(10(2)15-17)13(18-3)16(14-9)11-7-5-4-6-8-11/h4-8,17H,1-3H3/b15-10-
InChIKeyFRWYSXPQVPOJON-GDNBJRDFSA-N
XLogP2.39
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.39
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

2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
4-[(E)-N-methoxy-C-methylcarbonimidoyl]-3-methyl-1-phenylpyrazol-5-olate
CID 140654635
1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117124258
1-(3-chlorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117123962
4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole
CID 127028497
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 117124014
4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 5452451
4-(2-bromophenyl)sulfanyl-5-methoxy-3-methyl-1-phenylpyrazole
CID 2322589
2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 117124290
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine (CID 11075713) is (NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine is COc1c(/C(C)=N\O)c(C)nn1-c1ccccc1.
What is the InChIKey of (NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine?
The InChIKey is FRWYSXPQVPOJON-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-12(10(2)15-17)13(18-3)16(14-9)11-7-5-4-6-8-11/h4-8,17H,1-3H3/b15-10-.
What are the key properties of (NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine?
(NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine has a molecular weight of 245.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 11075713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).