(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol

C25H25N3O — CID 31927363

IUPAC(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@H](O)c1ccccc1
InChIInChI=1S/C25H25N3O/c1-27(19-24(29)20-11-5-2-6-12-20)17-22-18-28(23-15-9-4-10-16-23)26-25(22)21-13-7-3-8-14-21/h2-16,18,24,29H,17,19H2,1H3/t24-/m0/s1
InChIKeyIPHTUKOHIDOKNZ-DEOSSOPVSA-N
MW383.50 g/mol
LogP4.70
Rot. Bonds7

About (1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol

(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol (PubChem CID 31927363) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is (1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
PubChem CID31927363
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@H](O)c1ccccc1
InChIInChI=1S/C25H25N3O/c1-27(19-24(29)20-11-5-2-6-12-20)17-22-18-28(23-15-9-4-10-16-23)26-25(22)21-13-7-3-8-14-21/h2-16,18,24,29H,17,19H2,1H3/t24-/m0/s1
InChIKeyIPHTUKOHIDOKNZ-DEOSSOPVSA-N
XLogP4.70
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl-methylamino]-1-phenylethanol
CID 25377060
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8915030
(2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol
CID 95870427
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine
CID 60501613
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 9437010
N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine
CID 9331790
2-[[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]propanoic acid
CID 122036843
(1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 51923545
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 54579774
1-(1,3-diphenylpyrazol-4-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 37254069

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol (CID 31927363) is (1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol?
The InChIKey is IPHTUKOHIDOKNZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25N3O/c1-27(19-24(29)20-11-5-2-6-12-20)17-22-18-28(23-15-9-4-10-16-23)26-25(22)21-13-7-3-8-14-21/h2-16,18,24,29H,17,19H2,1H3/t24-/m0/s1.
What are the key properties of (1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol?
(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol has a molecular weight of 383.50 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol is sourced from PubChem (CID 31927363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).