3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane

C20H23Cl2N3O — CID 143374058

IUPAC3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane
SMILESCC.NCCC(O)(c1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O.C2H6/c19-16-6-5-15(9-17(16)20)18(24,7-8-21)14-3-1-12(2-4-14)13-10-22-23-11-13;1-2/h1-6,9-11,24H,7-8,21H2,(H,22,23);1-2H3
InChIKeySCXAEHRSVCLFHF-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.99
Rot. Bonds5

About 3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane

3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane (PubChem CID 143374058) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is 3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane.

Molecular Properties

Compound Name3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane
PubChem CID143374058
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane
SMILESCC.NCCC(O)(c1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O.C2H6/c19-16-6-5-15(9-17(16)20)18(24,7-8-21)14-3-1-12(2-4-14)13-10-22-23-11-13;1-2/h1-6,9-11,24H,7-8,21H2,(H,22,23);1-2H3
InChIKeySCXAEHRSVCLFHF-UHFFFAOYSA-N
XLogP4.99
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 11990842
3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 15603477
2-[3-(3,4-dichlorophenyl)-3-hydroxy-3-[4-(1H-pyrazol-4-yl)phenyl]propyl]isoindole-1,3-dione
CID 59446728
1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 151696156
1,1,4,4-tetrakis(3,4-dichlorophenyl)butane-1,4-diol
CID 154188534
3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 11772358
1-(4-iodophenyl)-2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol
CID 143374140
methyl 2-chloro-5-(1H-pyrazol-4-yl)benzoate
CID 129283677
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
(3S)-3-(4-chlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 69129226
4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole
CID 130466741
4-[1-(methylamino)-2-[4-(1H-pyrazol-4-yl)phenyl]propan-2-yl]aniline
CID 89020468

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane?
The IUPAC name of 3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane (CID 143374058) is 3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane.
What is the SMILES notation for 3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane?
The canonical SMILES for 3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane is CC.NCCC(O)(c1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane?
The InChIKey is SCXAEHRSVCLFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O.C2H6/c19-16-6-5-15(9-17(16)20)18(24,7-8-21)14-3-1-12(2-4-14)13-10-22-23-11-13;1-2/h1-6,9-11,24H,7-8,21H2,(H,22,23);1-2H3.
What are the key properties of 3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane?
3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane has a molecular weight of 392.33 g/mol, XLogP of 4.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane is sourced from PubChem (CID 143374058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).