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

C15H20BrN3O — CID 75428333

IUPAC(3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol
SMILESCC(Cn1cc(Br)cn1)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C15H20BrN3O/c1-12(10-19-11-14(16)9-17-19)18-15(7-8-20)13-5-3-2-4-6-13/h2-6,9,11-12,15,18,20H,7-8,10H2,1H3/t12?,15-/m1/s1
InChIKeyIDXNNMLVZMORAP-WPZCJLIBSA-N
MW338.25 g/mol
LogP2.75
Rot. Bonds7

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

(3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol (PubChem CID 75428333) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is (3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol
PubChem CID75428333
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name(3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol
SMILESCC(Cn1cc(Br)cn1)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C15H20BrN3O/c1-12(10-19-11-14(16)9-17-19)18-15(7-8-20)13-5-3-2-4-6-13/h2-6,9,11-12,15,18,20H,7-8,10H2,1H3/t12?,15-/m1/s1
InChIKeyIDXNNMLVZMORAP-WPZCJLIBSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol (CID 75428333) is (3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol is CC(Cn1cc(Br)cn1)N[C@H](CCO)c1ccccc1.
What is the InChIKey of (3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol?
The InChIKey is IDXNNMLVZMORAP-WPZCJLIBSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-12(10-19-11-14(16)9-17-19)18-15(7-8-20)13-5-3-2-4-6-13/h2-6,9,11-12,15,18,20H,7-8,10H2,1H3/t12?,15-/m1/s1.
What are the key properties of (3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol?
(3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol has a molecular weight of 338.25 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 75428333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).