(2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol

C16H23N3O — CID 107862442

IUPAC(2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
SMILESCCCn1nccc1CN[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H23N3O/c1-2-10-19-16(8-9-18-19)12-17-15(13-20)11-14-6-4-3-5-7-14/h3-9,15,17,20H,2,10-13H2,1H3/t15-/m0/s1
InChIKeyWLPGMWZXUIKRBA-HNNXBMFYSA-N
MW273.38 g/mol
LogP1.99
Rot. Bonds8

About (2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol

(2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol (PubChem CID 107862442) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
PubChem CID107862442
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
SMILESCCCn1nccc1CN[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H23N3O/c1-2-10-19-16(8-9-18-19)12-17-15(13-20)11-14-6-4-3-5-7-14/h3-9,15,17,20H,2,10-13H2,1H3/t15-/m0/s1
InChIKeyWLPGMWZXUIKRBA-HNNXBMFYSA-N
XLogP1.99
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 104939501
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
(2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 104922833
4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 114151438
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790
(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922812
4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 114555939
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol?
The IUPAC name of (2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol (CID 107862442) is (2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for (2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol is CCCn1nccc1CN[C@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol?
The InChIKey is WLPGMWZXUIKRBA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-10-19-16(8-9-18-19)12-17-15(13-20)11-14-6-4-3-5-7-14/h3-9,15,17,20H,2,10-13H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol?
(2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 107862442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).