1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine

C12H14BrN3 — CID 116817659

IUPAC1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine
SMILESCc1cc(N(C)C)nn1-c1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3/c1-9-8-12(15(2)3)14-16(9)11-6-4-10(13)5-7-11/h4-8H,1-3H3
InChIKeyWIKVUSYEFVZVPE-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.01
Rot. Bonds2

About 1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine

1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine (PubChem CID 116817659) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine
PubChem CID116817659
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine
SMILESCc1cc(N(C)C)nn1-c1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3/c1-9-8-12(15(2)3)14-16(9)11-6-4-10(13)5-7-11/h4-8H,1-3H3
InChIKeyWIKVUSYEFVZVPE-UHFFFAOYSA-N
XLogP3.01
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine
CID 116817637
3-(aminomethyl)-1-(4-bromophenyl)-6-methylpyridazin-4-one
CID 82419304
1-[2-(4-bromophenyl)-5-methylpyrazol-3-yl]ethanone
CID 82376203
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine
CID 39365314
2-(4-bromophenyl)-5-methylpyrazole-3-carboxylic acid
CID 2769597
1-(4-bromophenyl)-2,5-dimethylpyrrole
CID 2739609
3-iodo-5-methyl-1-(4-methylphenyl)pyrazole
CID 145470553
2-(4-bromophenyl)-4,5-dimethyltriazole;ethane
CID 171626210
5-methyl-1-(4-phenylphenyl)pyrazol-3-amine
CID 102942821
1-(4-bromophenyl)-5-ethyl-4-methylpyrazole
CID 166934661
1-(4-bromophenyl)-3-propan-2-ylpyrazol-5-amine
CID 43381361

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine?
The IUPAC name of 1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine (CID 116817659) is 1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine?
The canonical SMILES for 1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine is Cc1cc(N(C)C)nn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine?
The InChIKey is WIKVUSYEFVZVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-9-8-12(15(2)3)14-16(9)11-6-4-10(13)5-7-11/h4-8H,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine?
1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine has a molecular weight of 280.17 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine is sourced from PubChem (CID 116817659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).