(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine

C13H16BrN3 — CID 81355261

IUPAC(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccc(Br)cc1)c1ccn[nH]1
InChIInChI=1S/C13H16BrN3/c1-9(11-3-5-12(14)6-4-11)16-10(2)13-7-8-15-17-13/h3-10,16H,1-2H3,(H,15,17)/t9-,10?/m1/s1
InChIKeyLPBQCMYHEVEYIQ-YHMJZVADSA-N
MW294.20 g/mol
LogP3.58
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine

(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine (PubChem CID 81355261) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
PubChem CID81355261
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccc(Br)cc1)c1ccn[nH]1
InChIInChI=1S/C13H16BrN3/c1-9(11-3-5-12(14)6-4-11)16-10(2)13-7-8-15-17-13/h3-10,16H,1-2H3,(H,15,17)/t9-,10?/m1/s1
InChIKeyLPBQCMYHEVEYIQ-YHMJZVADSA-N
XLogP3.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237
(1R)-1-(3-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81371761
1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 66242814
1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 60972184
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide
CID 60972429
1-(3-bromo-4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881812
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881269
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 60971542
(1R)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81390762

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine (CID 81355261) is (1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine is CC(N[C@H](C)c1ccc(Br)cc1)c1ccn[nH]1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The InChIKey is LPBQCMYHEVEYIQ-YHMJZVADSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9(11-3-5-12(14)6-4-11)16-10(2)13-7-8-15-17-13/h3-10,16H,1-2H3,(H,15,17)/t9-,10?/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine has a molecular weight of 294.20 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 81355261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).