(2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol

C16H24N4O — CID 66614400

IUPAC(2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol
SMILESCCC(NC[C@@H](O)[C@@H](N)Cc1ccccc1)c1cn[nH]c1
InChIInChI=1S/C16H24N4O/c1-2-15(13-9-19-20-10-13)18-11-16(21)14(17)8-12-6-4-3-5-7-12/h3-7,9-10,14-16,18,21H,2,8,11,17H2,1H3,(H,19,20)/t14-,15?,16+/m0/s1
InChIKeyPUQIDUMCNKNJFS-DLDKDUQYSA-N
MW288.39 g/mol
LogP1.38
Rot. Bonds8

About (2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol

(2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol (PubChem CID 66614400) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol
PubChem CID66614400
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol
SMILESCCC(NC[C@@H](O)[C@@H](N)Cc1ccccc1)c1cn[nH]c1
InChIInChI=1S/C16H24N4O/c1-2-15(13-9-19-20-10-13)18-11-16(21)14(17)8-12-6-4-3-5-7-12/h3-7,9-10,14-16,18,21H,2,8,11,17H2,1H3,(H,19,20)/t14-,15?,16+/m0/s1
InChIKeyPUQIDUMCNKNJFS-DLDKDUQYSA-N
XLogP1.38
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol
CID 68608905
N-methyl-2-phenyl-1-(1H-pyrazol-4-yl)ethanamine
CID 174738467
1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol
CID 112811027
3-amino-1-phenylpentan-2-ol
CID 57155399
(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212809
(2R,3S)-3-amino-1-(butylamino)-4-phenylbutan-2-ol
CID 57428241
3-phenyl-2-(1H-pyrazol-4-yl)propanamide
CID 91102712
(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
methyl (3S,4S)-4-amino-3-hydroxy-5-phenylpentanoate
CID 14453007
(2S)-3-amino-1-[(4-methylphenyl)methylamino]-4-phenylbutan-2-ol
CID 142662276
(2S)-2-[(3-amino-2-hydroxy-4-phenylbutyl)amino]-4-methylpentanoic acid
CID 57064467
(2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol
CID 142662271

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol?
The IUPAC name of (2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol (CID 66614400) is (2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol is CCC(NC[C@@H](O)[C@@H](N)Cc1ccccc1)c1cn[nH]c1.
What is the InChIKey of (2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol?
The InChIKey is PUQIDUMCNKNJFS-DLDKDUQYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-15(13-9-19-20-10-13)18-11-16(21)14(17)8-12-6-4-3-5-7-12/h3-7,9-10,14-16,18,21H,2,8,11,17H2,1H3,(H,19,20)/t14-,15?,16+/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol?
(2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 1.38, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol is sourced from PubChem (CID 66614400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).