(2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol

C16H23N3O — CID 104922922

IUPAC(2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCC(C)n1cc(CN[C@@H](CO)Cc2ccccc2)cn1
InChIInChI=1S/C16H23N3O/c1-13(2)19-11-15(10-18-19)9-17-16(12-20)8-14-6-4-3-5-7-14/h3-7,10-11,13,16-17,20H,8-9,12H2,1-2H3/t16-/m1/s1
InChIKeySPBHAZFOMQMYEK-MRXNPFEDSA-N
MW273.38 g/mol
LogP2.16
Rot. Bonds7

About (2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol

(2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol (PubChem CID 104922922) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
PubChem CID104922922
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCC(C)n1cc(CN[C@@H](CO)Cc2ccccc2)cn1
InChIInChI=1S/C16H23N3O/c1-13(2)19-11-15(10-18-19)9-17-16(12-20)8-14-6-4-3-5-7-14/h3-7,10-11,13,16-17,20H,8-9,12H2,1-2H3/t16-/m1/s1
InChIKeySPBHAZFOMQMYEK-MRXNPFEDSA-N
XLogP2.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63261204
(2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propanoic acid
CID 120511532
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol
CID 107862327
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593
(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]benzonitrile
CID 102610093
4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
CID 103700974
2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol
CID 66523313
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropan-2-amine
CID 65026211
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of (2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol (CID 104922922) is (2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol is CC(C)n1cc(CN[C@@H](CO)Cc2ccccc2)cn1.
What is the InChIKey of (2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
The InChIKey is SPBHAZFOMQMYEK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)19-11-15(10-18-19)9-17-16(12-20)8-14-6-4-3-5-7-14/h3-7,10-11,13,16-17,20H,8-9,12H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol?
(2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 104922922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).