(NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine

C8H13N3O — CID 6886586

IUPAC(NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCCCn1ncc(/C=N/O)c1C
InChIInChI=1S/C8H13N3O/c1-3-4-11-7(2)8(5-9-11)6-10-12/h5-6,12H,3-4H2,1-2H3/b10-6+
InChIKeyYEZAFKAJKMZCIF-UXBLZVDNSA-N
MW167.21 g/mol
LogP1.41
Rot. Bonds3

About (NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine

(NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine (PubChem CID 6886586) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine
PubChem CID6886586
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCCCn1ncc(/C=N/O)c1C
InChIInChI=1S/C8H13N3O/c1-3-4-11-7(2)8(5-9-11)6-10-12/h5-6,12H,3-4H2,1-2H3/b10-6+
InChIKeyYEZAFKAJKMZCIF-UXBLZVDNSA-N
XLogP1.41
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.41
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-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine (CID 6886586) is (NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine is CCCn1ncc(/C=N/O)c1C.
What is the InChIKey of (NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine?
The InChIKey is YEZAFKAJKMZCIF-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-4-11-7(2)8(5-9-11)6-10-12/h5-6,12H,3-4H2,1-2H3/b10-6+.
What are the key properties of (NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine?
(NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine has a molecular weight of 167.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 6886586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).