(2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol

C15H20BrN3O — CID 97231624

IUPAC(2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol
SMILESC[C@H](Cn1cc(Br)cn1)NC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H20BrN3O/c1-12(10-19-11-14(16)8-18-19)17-9-15(20)7-13-5-3-2-4-6-13/h2-6,8,11-12,15,17,20H,7,9-10H2,1H3/t12-,15+/m1/s1
InChIKeyNUEFLQHWXFDEAT-DOMZBBRYSA-N
MW338.25 g/mol
LogP2.23
Rot. Bonds7

About (2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol

(2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol (PubChem CID 97231624) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is (2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol
PubChem CID97231624
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name(2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol
SMILESC[C@H](Cn1cc(Br)cn1)NC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H20BrN3O/c1-12(10-19-11-14(16)8-18-19)17-9-15(20)7-13-5-3-2-4-6-13/h2-6,8,11-12,15,17,20H,7,9-10H2,1H3/t12-,15+/m1/s1
InChIKeyNUEFLQHWXFDEAT-DOMZBBRYSA-N
XLogP2.23
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol with MolForge

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Related Compounds

1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
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1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol
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(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
1-(pentan-2-ylamino)-3-phenylpropan-2-ol
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(3R)-3-[[(2S)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-1-ol
CID 97322802
1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
CID 115705468
1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine
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1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine
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N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pentan-3-amine
CID 115705013
(2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine
CID 97229759
1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine
CID 104585466

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol?
The IUPAC name of (2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol (CID 97231624) is (2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol?
The canonical SMILES for (2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol is C[C@H](Cn1cc(Br)cn1)NC[C@@H](O)Cc1ccccc1.
What is the InChIKey of (2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol?
The InChIKey is NUEFLQHWXFDEAT-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-12(10-19-11-14(16)8-18-19)17-9-15(20)7-13-5-3-2-4-6-13/h2-6,8,11-12,15,17,20H,7,9-10H2,1H3/t12-,15+/m1/s1.
What are the key properties of (2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol?
(2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol has a molecular weight of 338.25 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 97231624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).