1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol

C15H19Cl2N3O — CID 110012191

IUPAC1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol
SMILESCC(CCn1cccn1)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-11(5-8-20-7-2-6-19-20)18-10-15(21)13-4-3-12(16)9-14(13)17/h2-4,6-7,9,11,15,18,21H,5,8,10H2,1H3
InChIKeyVDFSJUYTRUZNSJ-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.29
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol

1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol (PubChem CID 110012191) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol
PubChem CID110012191
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol
SMILESCC(CCn1cccn1)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-11(5-8-20-7-2-6-19-20)18-10-15(21)13-4-3-12(16)9-14(13)17/h2-4,6-7,9,11,15,18,21H,5,8,10H2,1H3
InChIKeyVDFSJUYTRUZNSJ-UHFFFAOYSA-N
XLogP3.29
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56828862
1-(2-Chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 72043959
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 72128104
(4-chlorophenyl)(1-methyl-1H-pyrazol-5-yl)methanol
CID 11550333
(1R)-1-(2-chlorophenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]ethanol
CID 52394473
N-[1-(2-Chloro-6-fluorophenyl)-1-hydroxypropan-2-YL]-3-(1-methylpyrazol-4-YL)propanamide
CID 71864153
[2-[[1-[(2-Chlorophenyl)methyl]pyrazol-4-yl]methylamino]phenyl]methanol
CID 75385018
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 95775523
2-[1-(3,5-Dichloro-2-fluorophenyl)ethylamino]-1-(1-methylpyrazol-4-yl)ethanol
CID 132318325
(2-chloro-4-fluorophenyl)(1-methyl-1H-Pyrazol-5-yl)methanol
CID 63962846
1-(4-Chlorophenyl)-2-pyrazol-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 70350893
N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decan-1-amine
CID 150979863

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol (CID 110012191) is 1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol is CC(CCn1cccn1)NCC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol?
The InChIKey is VDFSJUYTRUZNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-11(5-8-20-7-2-6-19-20)18-10-15(21)13-4-3-12(16)9-14(13)17/h2-4,6-7,9,11,15,18,21H,5,8,10H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol?
1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol has a molecular weight of 328.24 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol is sourced from PubChem (CID 110012191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).