N-(1H-pyrazol-5-ylmethylidene)hydroxylamine

C4H5N3O — CID 2782173

IUPACN-(1H-pyrazol-5-ylmethylidene)hydroxylamine
SMILESON=Cc1ccn[nH]1
InChIInChI=1S/C4H5N3O/c8-6-3-4-1-2-5-7-4/h1-3,8H,(H,5,7)
InChIKeyUIWLGDMTACIZKV-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.22
Rot. Bonds1

About N-(1H-pyrazol-5-ylmethylidene)hydroxylamine

N-(1H-pyrazol-5-ylmethylidene)hydroxylamine (PubChem CID 2782173) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethylidene)hydroxylamine
PubChem CID2782173
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC NameN-(1H-pyrazol-5-ylmethylidene)hydroxylamine
SMILESON=Cc1ccn[nH]1
InChIInChI=1S/C4H5N3O/c8-6-3-4-1-2-5-7-4/h1-3,8H,(H,5,7)
InChIKeyUIWLGDMTACIZKV-UHFFFAOYSA-N
XLogP0.22
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-1-(1H-pyrazol-5-yl)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]methanimine
CID 135604587
(E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine
CID 137263424
1-ethyl-3-[(E)-1H-pyrazol-5-ylmethylideneamino]thiourea
CID 137272915
5-[2-(2-fluorophenyl)ethenyl]-1H-pyrazole
CID 173291602
N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine
CID 137221296
N-(pyridin-4-ylmethylidene)hydroxylamine
CID 159045467
ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole
CID 90810948
(E)-2-cyano-3-(1H-pyrazol-5-yl)prop-2-enoic acid
CID 131310998
5-[(Z)-4-methyl-3-methylidene-2-propan-2-ylpent-1-enyl]-1H-pyrazole
CID 118098362
5-(2-thiophen-3-ylethenyl)-1H-pyrazole
CID 66979124
carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium
CID 178127818
ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
CID 143032049

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethylidene)hydroxylamine?
The IUPAC name of N-(1H-pyrazol-5-ylmethylidene)hydroxylamine (CID 2782173) is N-(1H-pyrazol-5-ylmethylidene)hydroxylamine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethylidene)hydroxylamine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethylidene)hydroxylamine is ON=Cc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethylidene)hydroxylamine?
The InChIKey is UIWLGDMTACIZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c8-6-3-4-1-2-5-7-4/h1-3,8H,(H,5,7).
What are the key properties of N-(1H-pyrazol-5-ylmethylidene)hydroxylamine?
N-(1H-pyrazol-5-ylmethylidene)hydroxylamine has a molecular weight of 111.10 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethylidene)hydroxylamine is sourced from PubChem (CID 2782173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).