1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol

C15H21N3O — CID 64821644

IUPAC1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
SMILESCc1nn(CC(O)(CN)c2ccccc2)c(C)c1C
InChIInChI=1S/C15H21N3O/c1-11-12(2)17-18(13(11)3)10-15(19,9-16)14-7-5-4-6-8-14/h4-8,19H,9-10,16H2,1-3H3
InChIKeyNCUNQMREPYDYLW-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.65
Rot. Bonds4

About 1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol

1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol (PubChem CID 64821644) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
PubChem CID64821644
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
SMILESCc1nn(CC(O)(CN)c2ccccc2)c(C)c1C
InChIInChI=1S/C15H21N3O/c1-11-12(2)17-18(13(11)3)10-15(19,9-16)14-7-5-4-6-8-14/h4-8,19H,9-10,16H2,1-3H3
InChIKeyNCUNQMREPYDYLW-UHFFFAOYSA-N
XLogP1.65
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol
CID 116695981
1-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol
CID 64820768
1-amino-3-(5-methylpyrazol-1-yl)-2-phenylpropan-2-ol
CID 64818779
1-amino-3-(3,5-diethylpyrazol-1-yl)-2-phenylpropan-2-ol
CID 82699856
2,2-dimethyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
CID 79621605
2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
CID 116695367
1-amino-2-phenyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 65040775
1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol
CID 103540867
1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 64820712
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
1-amino-3-tert-butylsulfanyl-2-phenylpropan-2-ol
CID 64812177
1-amino-3-(2-methylphenyl)sulfanyl-2-phenylpropan-2-ol
CID 64813417

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol (CID 64821644) is 1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol is Cc1nn(CC(O)(CN)c2ccccc2)c(C)c1C.
What is the InChIKey of 1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is NCUNQMREPYDYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-12(2)17-18(13(11)3)10-15(19,9-16)14-7-5-4-6-8-14/h4-8,19H,9-10,16H2,1-3H3.
What are the key properties of 1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 259.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-phenyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 64821644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).