(NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine

C9H15N3O — CID 35584031

IUPAC(NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine
SMILESCCn1nc(C)c(/C(C)=N\O)c1C
InChIInChI=1S/C9H15N3O/c1-5-12-8(4)9(6(2)10-12)7(3)11-13/h13H,5H2,1-4H3/b11-7-
InChIKeyDRPULZMTBMAFNZ-XFFZJAGNSA-N
MW181.24 g/mol
LogP1.72
Rot. Bonds2

About (NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine

(NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine (PubChem CID 35584031) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine
PubChem CID35584031
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine
SMILESCCn1nc(C)c(/C(C)=N\O)c1C
InChIInChI=1S/C9H15N3O/c1-5-12-8(4)9(6(2)10-12)7(3)11-13/h13H,5H2,1-4H3/b11-7-
InChIKeyDRPULZMTBMAFNZ-XFFZJAGNSA-N
XLogP1.72
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.72
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'}

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Related Compounds

1-ethyl-3,5-dimethylpyrazole-4-carboximidamide
CID 130631217
1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 19472103
1-ethyl-4-iodo-3,5-dimethylpyrazole
CID 51063680
methyl 4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2,4-dioxobutanoate;hydrochloride
CID 163330060
2-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119223425
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
4-(chloromethyl)-1-ethyl-3,5-dimethylpyrazole
CID 43648133
ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 143211364
1-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 62726492
N-(1-adamantyl)-1-ethyl-N,3,5-trimethylpyrazole-4-carboxamide
CID 19477984
1-ethyl-5-fluoro-3-methylpyrazole-4-carboxylic acid
CID 119053480
1-ethyl-3,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 35335785

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine (CID 35584031) is (NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine is CCn1nc(C)c(/C(C)=N\O)c1C.
What is the InChIKey of (NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine?
The InChIKey is DRPULZMTBMAFNZ-XFFZJAGNSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5-12-8(4)9(6(2)10-12)7(3)11-13/h13H,5H2,1-4H3/b11-7-.
What are the key properties of (NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine?
(NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine has a molecular weight of 181.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 35584031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).