2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine

C14H18BrN3 — CID 83987324

IUPAC2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
SMILESCC(C)c1cc(C(CN)c2ccccc2Br)[nH]n1
InChIInChI=1S/C14H18BrN3/c1-9(2)13-7-14(18-17-13)11(8-16)10-5-3-4-6-12(10)15/h3-7,9,11H,8,16H2,1-2H3,(H,17,18)
InChIKeyPXPUVCMPHNDGKH-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.39
Rot. Bonds4

About 2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine

2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine (PubChem CID 83987324) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
PubChem CID83987324
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
SMILESCC(C)c1cc(C(CN)c2ccccc2Br)[nH]n1
InChIInChI=1S/C14H18BrN3/c1-9(2)13-7-14(18-17-13)11(8-16)10-5-3-4-6-12(10)15/h3-7,9,11H,8,16H2,1-2H3,(H,17,18)
InChIKeyPXPUVCMPHNDGKH-UHFFFAOYSA-N
XLogP3.39
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-5-methylphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
CID 83986997
2-(4-chlorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
CID 83986383
2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
CID 83986563
2-(2-bromophenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 82304019
3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
CID 60733986
2-(2-bromophenyl)pentan-1-amine
CID 79449309
(1R)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81383005
2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 55022789
2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 63457818
1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913535
1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905528
2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83986388

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine (CID 83987324) is 2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine is CC(C)c1cc(C(CN)c2ccccc2Br)[nH]n1.
What is the InChIKey of 2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
The InChIKey is PXPUVCMPHNDGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-9(2)13-7-14(18-17-13)11(8-16)10-5-3-4-6-12(10)15/h3-7,9,11H,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 83987324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).