(NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine

C15H18N4O — CID 6904170

IUPAC(NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/O
InChIInChI=1S/C15H18N4O/c1-12-14(11-16-20)15(18-9-5-6-10-18)19(17-12)13-7-3-2-4-8-13/h2-4,7-8,11,20H,5-6,9-10H2,1H3/b16-11+
InChIKeyFQPQCDCWEZMGBC-LFIBNONCSA-N
MW270.34 g/mol
LogP2.59
Rot. Bonds3

About (NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine

(NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine (PubChem CID 6904170) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine
PubChem CID6904170
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/O
InChIInChI=1S/C15H18N4O/c1-12-14(11-16-20)15(18-9-5-6-10-18)19(17-12)13-7-3-2-4-8-13/h2-4,7-8,11,20H,5-6,9-10H2,1H3/b16-11+
InChIKeyFQPQCDCWEZMGBC-LFIBNONCSA-N
XLogP2.59
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine (CID 6904170) is (NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine is Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/O.
What is the InChIKey of (NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine?
The InChIKey is FQPQCDCWEZMGBC-LFIBNONCSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12-14(11-16-20)15(18-9-5-6-10-18)19(17-12)13-7-3-2-4-8-13/h2-4,7-8,11,20H,5-6,9-10H2,1H3/b16-11+.
What are the key properties of (NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine?
(NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine has a molecular weight of 270.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 6904170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).