(1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine

C15H19Br2N3 — CID 81359395

IUPAC(1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine
SMILESCCn1nc(C)c(Br)c1CN[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H19Br2N3/c1-4-20-14(15(17)11(3)19-20)9-18-10(2)12-5-7-13(16)8-6-12/h5-8,10,18H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyFBWXXOIJIVUPAY-SNVBAGLBSA-N
MW401.15 g/mol
LogP4.59
Rot. Bonds5

About (1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine

(1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine (PubChem CID 81359395) has the molecular formula C15H19Br2N3 and a molecular weight of 401.15 g/mol. Its IUPAC name is (1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine
PubChem CID81359395
Molecular FormulaC15H19Br2N3
Molecular Weight401.15 g/mol
Exact Mass398.99
IUPAC Name(1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine
SMILESCCn1nc(C)c(Br)c1CN[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H19Br2N3/c1-4-20-14(15(17)11(3)19-20)9-18-10(2)12-5-7-13(16)8-6-12/h5-8,10,18H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyFBWXXOIJIVUPAY-SNVBAGLBSA-N
XLogP4.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.15
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine with MolForge

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Related Compounds

(1S)-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine
CID 81359014
(1S)-1-(4-bromophenyl)-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 81358937
4-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]-1-ethyl-3-methylpyrazole
CID 79435088
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66242004
1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60663985
(1S)-1-(4-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088989
(1R)-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355776
2,6-dibromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]aniline
CID 107598752
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899626
(1R)-N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(2-bromophenyl)ethanamine
CID 81378060
(1R)-1-(4-bromophenyl)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 81359149
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine?
The IUPAC name of (1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine (CID 81359395) is (1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine is CCn1nc(C)c(Br)c1CN[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of (1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine?
The InChIKey is FBWXXOIJIVUPAY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19Br2N3/c1-4-20-14(15(17)11(3)19-20)9-18-10(2)12-5-7-13(16)8-6-12/h5-8,10,18H,4,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine?
(1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine has a molecular weight of 401.15 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-bromophenyl)ethanamine is sourced from PubChem (CID 81359395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).