1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol

C19H21N3O — CID 111104760

IUPAC1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol
SMILESOC(CNCc1ccc(-n2cccn2)cc1)Cc1ccccc1
InChIInChI=1S/C19H21N3O/c23-19(13-16-5-2-1-3-6-16)15-20-14-17-7-9-18(10-8-17)22-12-4-11-21-22/h1-12,19-20,23H,13-15H2
InChIKeyJZOOUUYMBKAIIB-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.57
Rot. Bonds7

About 1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol

1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol (PubChem CID 111104760) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol
PubChem CID111104760
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol
SMILESOC(CNCc1ccc(-n2cccn2)cc1)Cc1ccccc1
InChIInChI=1S/C19H21N3O/c23-19(13-16-5-2-1-3-6-16)15-20-14-17-7-9-18(10-8-17)22-12-4-11-21-22/h1-12,19-20,23H,13-15H2
InChIKeyJZOOUUYMBKAIIB-UHFFFAOYSA-N
XLogP2.57
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol
CID 111104787
4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid
CID 122073068
1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol
CID 86984352
1-(4-pyrazol-1-ylphenyl)propan-2-ol
CID 83675061
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
CID 103924243
N-[(2-bromophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61402147
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43768777
N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43226678
2-[(1-methylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 75449927
3,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 115581160

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol (CID 111104760) is 1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol is OC(CNCc1ccc(-n2cccn2)cc1)Cc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol?
The InChIKey is JZOOUUYMBKAIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19(13-16-5-2-1-3-6-16)15-20-14-17-7-9-18(10-8-17)22-12-4-11-21-22/h1-12,19-20,23H,13-15H2.
What are the key properties of 1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol?
1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol has a molecular weight of 307.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 111104760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).