N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine

C7H13N3O — CID 114556004

IUPACN-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
SMILESCCCn1nccc1CNO
InChIInChI=1S/C7H13N3O/c1-2-5-10-7(6-9-11)3-4-8-10/h3-4,9,11H,2,5-6H2,1H3
InChIKeyVTTLYMPBLSKDQB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds4

About N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine

N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine (PubChem CID 114556004) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
PubChem CID114556004
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
SMILESCCCn1nccc1CNO
InChIInChI=1S/C7H13N3O/c1-2-5-10-7(6-9-11)3-4-8-10/h3-4,9,11H,2,5-6H2,1H3
InChIKeyVTTLYMPBLSKDQB-UHFFFAOYSA-N
XLogP0.77
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615846
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 104939501
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555084
3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106172739
2,6-dichloro-4-[(2-propylpyrazol-3-yl)methylamino]phenol
CID 107679327

Frequently Asked Questions

What is the IUPAC name of N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine?
The IUPAC name of N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine (CID 114556004) is N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine is CCCn1nccc1CNO.
What is the InChIKey of N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine?
The InChIKey is VTTLYMPBLSKDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-5-10-7(6-9-11)3-4-8-10/h3-4,9,11H,2,5-6H2,1H3.
What are the key properties of N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine?
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine has a molecular weight of 155.20 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 114556004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).