1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol

C16H23N3O — CID 82699856

IUPAC1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol
SMILESCCc1cc(CC)n(CC(O)(CN)c2ccccc2)n1
InChIInChI=1S/C16H23N3O/c1-3-14-10-15(4-2)19(18-14)12-16(20,11-17)13-8-6-5-7-9-13/h5-10,20H,3-4,11-12,17H2,1-2H3
InChIKeyWJGOHXIZHXDICG-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.85
Rot. Bonds6

About 1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol

1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol (PubChem CID 82699856) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol
PubChem CID82699856
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol
SMILESCCc1cc(CC)n(CC(O)(CN)c2ccccc2)n1
InChIInChI=1S/C16H23N3O/c1-3-14-10-15(4-2)19(18-14)12-16(20,11-17)13-8-6-5-7-9-13/h5-10,20H,3-4,11-12,17H2,1-2H3
InChIKeyWJGOHXIZHXDICG-UHFFFAOYSA-N
XLogP1.85
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 64821644
1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol
CID 64818779
1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol
CID 64820768
[3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 82691975
3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid
CID 82692790
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 64820712
1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol
CID 116695981
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
3,5-diethyl-1-propylpyrazole
CID 82699697
1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol
CID 103540867

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol (CID 82699856) is 1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol is CCc1cc(CC)n(CC(O)(CN)c2ccccc2)n1.
What is the InChIKey of 1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol?
The InChIKey is WJGOHXIZHXDICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-14-10-15(4-2)19(18-14)12-16(20,11-17)13-8-6-5-7-9-13/h5-10,20H,3-4,11-12,17H2,1-2H3.
What are the key properties of 1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol?
1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 82699856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).