[3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine

C12H14BrN3 — CID 84761577

IUPAC[3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine
SMILESCCn1nc(-c2ccc(Br)cc2)cc1CN
InChIInChI=1S/C12H14BrN3/c1-2-16-11(8-14)7-12(15-16)9-3-5-10(13)6-4-9/h3-7H,2,8,14H2,1H3
InChIKeyAMYSETPWKMDIRW-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.79
Rot. Bonds3

About [3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine

[3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine (PubChem CID 84761577) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is [3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine
PubChem CID84761577
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name[3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine
SMILESCCn1nc(-c2ccc(Br)cc2)cc1CN
InChIInChI=1S/C12H14BrN3/c1-2-16-11(8-14)7-12(15-16)9-3-5-10(13)6-4-9/h3-7H,2,8,14H2,1H3
InChIKeyAMYSETPWKMDIRW-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84746375
[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
CID 84761591
[3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84746367
[1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine
CID 84761660
3-(4-bromophenyl)-5-ethyl-1-(2-methylpropyl)pyrazole
CID 170037358
(1-ethyl-3-iodopyrazol-5-yl)methanamine
CID 154881848
[1-ethyl-3-(3-nitrophenyl)pyrazol-5-yl]methanamine
CID 84761582
[3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761580
N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide
CID 84761606
(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)methanamine
CID 121211007
6-[5-(aminomethyl)-1-ethylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one
CID 84761603
[3-(2-ethoxyphenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761609

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine?
The IUPAC name of [3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine (CID 84761577) is [3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine?
The canonical SMILES for [3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine is CCn1nc(-c2ccc(Br)cc2)cc1CN.
What is the InChIKey of [3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine?
The InChIKey is AMYSETPWKMDIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-2-16-11(8-14)7-12(15-16)9-3-5-10(13)6-4-9/h3-7H,2,8,14H2,1H3.
What are the key properties of [3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine?
[3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine has a molecular weight of 280.17 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine is sourced from PubChem (CID 84761577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).