(NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine

C8H13N3O — CID 20518202

IUPAC(NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine
SMILESCC(C)(C)/C(=N/O)n1cccn1
InChIInChI=1S/C8H13N3O/c1-8(2,3)7(10-12)11-6-4-5-9-11/h4-6,12H,1-3H3/b10-7-
InChIKeyVFTYDVCQILCVSM-YFHOEESVSA-N
MW167.21 g/mol
LogP1.57
Rot. Bonds

About (NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine

(NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine (PubChem CID 20518202) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine
PubChem CID20518202
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine
SMILESCC(C)(C)/C(=N/O)n1cccn1
InChIInChI=1S/C8H13N3O/c1-8(2,3)7(10-12)11-6-4-5-9-11/h4-6,12H,1-3H3/b10-7-
InChIKeyVFTYDVCQILCVSM-YFHOEESVSA-N
XLogP1.57
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine (CID 20518202) is (NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine is CC(C)(C)/C(=N/O)n1cccn1.
What is the InChIKey of (NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine?
The InChIKey is VFTYDVCQILCVSM-YFHOEESVSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2,3)7(10-12)11-6-4-5-9-11/h4-6,12H,1-3H3/b10-7-.
What are the key properties of (NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine?
(NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine has a molecular weight of 167.21 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine is sourced from PubChem (CID 20518202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).