1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine

C16H22BrN3 — CID 62126268

IUPAC1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cccc(Br)c1)Cc1cnn(CC)c1
InChIInChI=1S/C16H22BrN3/c1-3-18-16(9-13-6-5-7-15(17)8-13)10-14-11-19-20(4-2)12-14/h5-8,11-12,16,18H,3-4,9-10H2,1-2H3
InChIKeyCZBHNSAOLNIOIC-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.43
Rot. Bonds7

About 1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine

1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine (PubChem CID 62126268) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
PubChem CID62126268
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cccc(Br)c1)Cc1cnn(CC)c1
InChIInChI=1S/C16H22BrN3/c1-3-18-16(9-13-6-5-7-15(17)8-13)10-14-11-19-20(4-2)12-14/h5-8,11-12,16,18H,3-4,9-10H2,1-2H3
InChIKeyCZBHNSAOLNIOIC-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009375
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 66142724
1-(2,4-dibromophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107945297
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 63024204
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 82789190
1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 22194310
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 63413718
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223
1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 61372893
N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine
CID 105114746
N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126115

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine (CID 62126268) is 1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine is CCNC(Cc1cccc(Br)c1)Cc1cnn(CC)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
The InChIKey is CZBHNSAOLNIOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-3-18-16(9-13-6-5-7-15(17)8-13)10-14-11-19-20(4-2)12-14/h5-8,11-12,16,18H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine has a molecular weight of 336.28 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 62126268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).