(NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine

C7H11N3O — CID 136983537

IUPAC(NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cc(C)n(C)n1
InChIInChI=1S/C7H11N3O/c1-5-4-7(6(2)9-11)8-10(5)3/h4,11H,1-3H3/b9-6+
InChIKeyQKCOLKSNRLGPBZ-RMKNXTFCSA-N
MW153.18 g/mol
LogP0.93
Rot. Bonds1

About (NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine

(NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine (PubChem CID 136983537) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is (NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine
PubChem CID136983537
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name(NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cc(C)n(C)n1
InChIInChI=1S/C7H11N3O/c1-5-4-7(6(2)9-11)8-10(5)3/h4,11H,1-3H3/b9-6+
InChIKeyQKCOLKSNRLGPBZ-RMKNXTFCSA-N
XLogP0.93
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze (NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride
CID 159984372
1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide
CID 114219118
(NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine
CID 146155538
N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine
CID 144635454
N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
CID 130485672
tert-butyl 1,5-dimethylpyrazole-3-carboxylate
CID 130485579
1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one
CID 126974372
(1,5-dimethylpyrazol-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 130530261
carbon dioxide;ethyl 1,5-dimethylpyrazole-3-carboxylate
CID 160757130
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
3-(iodomethyl)-1,5-dimethylpyrazole
CID 90127080

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine (CID 136983537) is (NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine is C/C(=N\O)c1cc(C)n(C)n1.
What is the InChIKey of (NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine?
The InChIKey is QKCOLKSNRLGPBZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-4-7(6(2)9-11)8-10(5)3/h4,11H,1-3H3/b9-6+.
What are the key properties of (NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine has a molecular weight of 153.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 136983537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).