(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol

C15H21N3O2 — CID 107862327

IUPAC(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol
SMILESOCCn1cc(CN[C@H](CO)Cc2ccccc2)cn1
InChIInChI=1S/C15H21N3O2/c19-7-6-18-11-14(10-17-18)9-16-15(12-20)8-13-4-2-1-3-5-13/h1-5,10-11,15-16,19-20H,6-9,12H2/t15-/m0/s1
InChIKeyGHOWSOWTKZGNFT-HNNXBMFYSA-N
MW275.35 g/mol
LogP0.57
Rot. Bonds8

About (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol

(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol (PubChem CID 107862327) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol
PubChem CID107862327
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol
SMILESOCCn1cc(CN[C@H](CO)Cc2ccccc2)cn1
InChIInChI=1S/C15H21N3O2/c19-7-6-18-11-14(10-17-18)9-16-15(12-20)8-13-4-2-1-3-5-13/h1-5,10-11,15-16,19-20H,6-9,12H2/t15-/m0/s1
InChIKeyGHOWSOWTKZGNFT-HNNXBMFYSA-N
XLogP0.57
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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]propan-1-ol
CID 104922922
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593
methyl 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetate
CID 64830787
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropan-2-amine
CID 65026211
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
(2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 104922833
2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64829934
2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol
CID 64829572

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol (CID 107862327) is (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol is OCCn1cc(CN[C@H](CO)Cc2ccccc2)cn1.
What is the InChIKey of (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol?
The InChIKey is GHOWSOWTKZGNFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-7-6-18-11-14(10-17-18)9-16-15(12-20)8-13-4-2-1-3-5-13/h1-5,10-11,15-16,19-20H,6-9,12H2/t15-/m0/s1.
What are the key properties of (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol?
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 107862327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).