2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol

C15H21N3O — CID 63261204

IUPAC2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol
SMILESCCn1cc(CNC(CO)Cc2ccccc2)cn1
InChIInChI=1S/C15H21N3O/c1-2-18-11-14(10-17-18)9-16-15(12-19)8-13-6-4-3-5-7-13/h3-7,10-11,15-16,19H,2,8-9,12H2,1H3
InChIKeyWPMTVRFJXFFQFW-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.60
Rot. Bonds7

About 2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol

2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol (PubChem CID 63261204) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol
PubChem CID63261204
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol
SMILESCCn1cc(CNC(CO)Cc2ccccc2)cn1
InChIInChI=1S/C15H21N3O/c1-2-18-11-14(10-17-18)9-16-15(12-19)8-13-6-4-3-5-7-13/h3-7,10-11,15-16,19H,2,8-9,12H2,1H3
InChIKeyWPMTVRFJXFFQFW-UHFFFAOYSA-N
XLogP1.60
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol
CID 107862327
(2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 104922922
2-[(1-ethylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115711495
(2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 104922833
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593
methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62128125
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropan-2-amine
CID 65026211
1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine
CID 62715334
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide
CID 62127943

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol (CID 63261204) is 2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol is CCn1cc(CNC(CO)Cc2ccccc2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is WPMTVRFJXFFQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-18-11-14(10-17-18)9-16-15(12-19)8-13-6-4-3-5-7-13/h3-7,10-11,15-16,19H,2,8-9,12H2,1H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol?
2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63261204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).