N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine

C12H14BrN3 — CID 60958392

IUPACN-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C12H14BrN3/c1-2-14-7-10-8-15-16(9-10)12-5-3-11(13)4-6-12/h3-6,8-9,14H,2,7H2,1H3
InChIKeyLEPHHIONNJASHD-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.74
Rot. Bonds4

About N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine

N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 60958392) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID60958392
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC NameN-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C12H14BrN3/c1-2-14-7-10-8-15-16(9-10)12-5-3-11(13)4-6-12/h3-6,8-9,14H,2,7H2,1H3
InChIKeyLEPHHIONNJASHD-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 55024110
N-[[4-(4-bromopyrazol-1-yl)phenyl]methyl]ethanamine
CID 61036315
1-(4-bromophenyl)-4-ethylpyrazole
CID 84804013
(2R)-2-[[1-(4-bromophenyl)pyrazol-4-yl]methylamino]-3-methylbutanoic acid
CID 120913346
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 112839320
1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119508703
N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]ethanamine
CID 61271907
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
CID 110931852
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041
N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine
CID 61272499
2-ethyl-2-[[(1-phenylpyrazol-4-yl)methylamino]methyl]butanoic acid
CID 122129184
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43590778

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine (CID 60958392) is N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(-c2ccc(Br)cc2)c1.
What is the InChIKey of N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is LEPHHIONNJASHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-2-14-7-10-8-15-16(9-10)12-5-3-11(13)4-6-12/h3-6,8-9,14H,2,7H2,1H3.
What are the key properties of N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine?
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 60958392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).