N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine

C6H10ClN3O — CID 84767030

IUPACN-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine
SMILESCCn1ncc(CNO)c1Cl
InChIInChI=1S/C6H10ClN3O/c1-2-10-6(7)5(3-8-10)4-9-11/h3,9,11H,2,4H2,1H3
InChIKeyRUFYEUNCMCGKSW-UHFFFAOYSA-N
MW175.62 g/mol
LogP1.04
Rot. Bonds3

About N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine

N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine (PubChem CID 84767030) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine
PubChem CID84767030
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC NameN-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine
SMILESCCn1ncc(CNO)c1Cl
InChIInChI=1S/C6H10ClN3O/c1-2-10-6(7)5(3-8-10)4-9-11/h3,9,11H,2,4H2,1H3
InChIKeyRUFYEUNCMCGKSW-UHFFFAOYSA-N
XLogP1.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine
CID 84770611
1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]cyclopropan-1-amine
CID 105467292
2-(5-chloro-1-ethylpyrazol-4-yl)propan-2-amine
CID 84770615
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290546
1-[2-(5-chloro-1-ethylpyrazol-4-yl)ethyl]piperazine
CID 84801861
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]butanamide
CID 19290534
1-(4-chlorophenyl)-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]urea
CID 17378582
N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine
CID 66440322
1-(5-chloro-1-ethylpyrazol-4-yl)cyclohexan-1-amine
CID 84791977
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]propanamide
CID 19535723
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19290411

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine?
The IUPAC name of N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine (CID 84767030) is N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine is CCn1ncc(CNO)c1Cl.
What is the InChIKey of N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine?
The InChIKey is RUFYEUNCMCGKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O/c1-2-10-6(7)5(3-8-10)4-9-11/h3,9,11H,2,4H2,1H3.
What are the key properties of N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine?
N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine has a molecular weight of 175.62 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-ethylpyrazol-4-yl)methyl]hydroxylamine is sourced from PubChem (CID 84767030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).