3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol

C18H18ClN3O — CID 11990842

IUPAC3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
SMILESNCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H18ClN3O/c19-17-7-5-16(6-8-17)18(23,9-10-20)15-3-1-13(2-4-15)14-11-21-22-12-14/h1-8,11-12,23H,9-10,20H2,(H,21,22)
InChIKeyJYYGTRCJLXYFEO-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.31
Rot. Bonds5

About 3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol

3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol (PubChem CID 11990842) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
PubChem CID11990842
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
SMILESNCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H18ClN3O/c19-17-7-5-16(6-8-17)18(23,9-10-20)15-3-1-13(2-4-15)14-11-21-22-12-14/h1-8,11-12,23H,9-10,20H2,(H,21,22)
InChIKeyJYYGTRCJLXYFEO-UHFFFAOYSA-N
XLogP3.31
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,4-dichlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol;ethane
CID 143374058
1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 151696156
3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 15603477
(3S)-3-(4-chlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 69129226
4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole
CID 118191758
1-(4-iodophenyl)-2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol
CID 143374140
2-[3-(3,4-dichlorophenyl)-3-hydroxy-3-[4-(1H-pyrazol-4-yl)phenyl]propyl]isoindole-1,3-dione
CID 59446728
1-(4-chlorophenyl)-2-(methylamino)-1-[4-(1H-pyrazol-4-yl)cyclohexa-1,3-dien-1-yl]ethanol
CID 118945759
O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine
CID 145474090
2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 11197714
2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol
CID 11405111
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol (CID 11990842) is 3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol is NCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol?
The InChIKey is JYYGTRCJLXYFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-17-7-5-16(6-8-17)18(23,9-10-20)15-3-1-13(2-4-15)14-11-21-22-12-14/h1-8,11-12,23H,9-10,20H2,(H,21,22).
What are the key properties of 3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol?
3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol has a molecular weight of 327.82 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol is sourced from PubChem (CID 11990842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).