1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine

C10H13BrN4O — CID 115726379

IUPAC1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine
SMILESCC(Cn1cc(Br)cn1)NCc1ccon1
InChIInChI=1S/C10H13BrN4O/c1-8(6-15-7-9(11)4-13-15)12-5-10-2-3-16-14-10/h2-4,7-8,12H,5-6H2,1H3
InChIKeyPHTREFVAXHEASH-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.81
Rot. Bonds5

About 1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine

1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine (PubChem CID 115726379) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine
PubChem CID115726379
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine
SMILESCC(Cn1cc(Br)cn1)NCc1ccon1
InChIInChI=1S/C10H13BrN4O/c1-8(6-15-7-9(11)4-13-15)12-5-10-2-3-16-14-10/h2-4,7-8,12H,5-6H2,1H3
InChIKeyPHTREFVAXHEASH-UHFFFAOYSA-N
XLogP1.81
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine
CID 104585466
1-(4-bromopyrazol-1-yl)-N-propan-2-ylpropan-2-amine
CID 115705468
1-(4-bromopyrazol-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 75382680
1-(4-bromopyrazol-1-yl)-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 115892783
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pentan-3-amine
CID 115705013
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
(2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol
CID 97231624
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 115726363
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(4-bromopyrazol-1-yl)propan-2-amine
CID 154807480
(2R)-1-(4-bromopyrazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propan-2-amine
CID 97229759
N-[1-(4-bromopyrazol-1-yl)propan-2-yl]pent-4-en-2-amine
CID 115890386

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine (CID 115726379) is 1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine is CC(Cn1cc(Br)cn1)NCc1ccon1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine?
The InChIKey is PHTREFVAXHEASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-8(6-15-7-9(11)4-13-15)12-5-10-2-3-16-14-10/h2-4,7-8,12H,5-6H2,1H3.
What are the key properties of 1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine?
1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine has a molecular weight of 285.14 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)-N-(1,2-oxazol-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 115726379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).