O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine

C6H10ClN3O — CID 79427033

IUPACO-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
SMILESCc1nn(C)c(CON)c1Cl
InChIInChI=1S/C6H10ClN3O/c1-4-6(7)5(3-11-8)10(2)9-4/h3,8H2,1-2H3
InChIKeyIWQAMPDHPWNVGW-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.77
Rot. Bonds2

About O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine

O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine (PubChem CID 79427033) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
PubChem CID79427033
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC NameO-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
SMILESCc1nn(C)c(CON)c1Cl
InChIInChI=1S/C6H10ClN3O/c1-4-6(7)5(3-11-8)10(2)9-4/h3,8H2,1-2H3
InChIKeyIWQAMPDHPWNVGW-UHFFFAOYSA-N
XLogP0.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine (CID 79427033) is O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine is Cc1nn(C)c(CON)c1Cl.
What is the InChIKey of O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine?
The InChIKey is IWQAMPDHPWNVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O/c1-4-6(7)5(3-11-8)10(2)9-4/h3,8H2,1-2H3.
What are the key properties of O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine?
O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine has a molecular weight of 175.62 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 79427033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).