2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol

C13H15Cl2N3O — CID 43749371

IUPAC2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol
SMILESCC(Cn1cccn1)NCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H15Cl2N3O/c1-9(8-18-4-2-3-17-18)16-7-10-5-11(14)6-12(15)13(10)19/h2-6,9,16,19H,7-8H2,1H3
InChIKeyZGIRQEOVOWMNLG-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.07
Rot. Bonds5

About 2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol

2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol (PubChem CID 43749371) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol
PubChem CID43749371
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol
SMILESCC(Cn1cccn1)NCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H15Cl2N3O/c1-9(8-18-4-2-3-17-18)16-7-10-5-11(14)6-12(15)13(10)19/h2-6,9,16,19H,7-8H2,1H3
InChIKeyZGIRQEOVOWMNLG-UHFFFAOYSA-N
XLogP3.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N'-hydroxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzenecarboximidamide
CID 102667250
2,4-dichloro-6-[(3-pyrazol-1-ylpropylamino)methyl]phenol
CID 112688364
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78968616
2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202255
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
CID 43749249
2-[(but-3-en-2-ylamino)methyl]-4,6-dichlorophenol
CID 115691167
1-pyrazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051559
5-fluoro-N'-hydroxy-2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzenecarboximidamide
CID 77031940
(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 93046419
N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78943040
1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 61459886

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol (CID 43749371) is 2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol is CC(Cn1cccn1)NCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol?
The InChIKey is ZGIRQEOVOWMNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-9(8-18-4-2-3-17-18)16-7-10-5-11(14)6-12(15)13(10)19/h2-6,9,16,19H,7-8H2,1H3.
What are the key properties of 2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol?
2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol has a molecular weight of 300.19 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]phenol is sourced from PubChem (CID 43749371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).