1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol

C13H18BrN3OS — CID 75428404

IUPAC1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCC(Cn1cc(Br)cn1)NCC(C)(O)c1ccsc1
InChIInChI=1S/C13H18BrN3OS/c1-10(6-17-7-12(14)5-16-17)15-9-13(2,18)11-3-4-19-8-11/h3-5,7-8,10,15,18H,6,9H2,1-2H3
InChIKeyBMDPWGGUBJTUTF-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.59
Rot. Bonds6

About 1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol

1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol (PubChem CID 75428404) has the molecular formula C13H18BrN3OS and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol
PubChem CID75428404
Molecular FormulaC13H18BrN3OS
Molecular Weight344.28 g/mol
Exact Mass343.04
IUPAC Name1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol
SMILESCC(Cn1cc(Br)cn1)NCC(C)(O)c1ccsc1
InChIInChI=1S/C13H18BrN3OS/c1-10(6-17-7-12(14)5-16-17)15-9-13(2,18)11-3-4-19-8-11/h3-5,7-8,10,15,18H,6,9H2,1-2H3
InChIKeyBMDPWGGUBJTUTF-UHFFFAOYSA-N
XLogP2.59
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methylpyrazole-4-sulfonamide
CID 75387197
1-(4-Bromopyrazol-1-yl)-1-thiophen-3-ylpropan-2-amine
CID 61623058
2-[4-[(1-Thiophen-3-ylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64830572
1-(2-Hydroxy-2-thiophen-3-ylpropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 71864893
1-[1-(1,3-Dimethylpyrazol-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 72002902
1-(2-Hydroxy-2-thiophen-3-ylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 72117322
1-[1-(4-Bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-2-ylpropan-2-ol
CID 75428276
1-[(3-Bromothiophen-2-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 75507734
2-(1-Methylpyrazol-4-yl)-1-[1-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 84588248
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 96108275
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 96108277
1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]urea
CID 96409322

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol (CID 75428404) is 1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol is CC(Cn1cc(Br)cn1)NCC(C)(O)c1ccsc1.
What is the InChIKey of 1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol?
The InChIKey is BMDPWGGUBJTUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3OS/c1-10(6-17-7-12(14)5-16-17)15-9-13(2,18)11-3-4-19-8-11/h3-5,7-8,10,15,18H,6,9H2,1-2H3.
What are the key properties of 1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol?
1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol has a molecular weight of 344.28 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 75428404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).