1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine

C14H14BrN5 — CID 83222401

IUPAC1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine
SMILESCc1nn(C)cc1-c1nn(-c2ccc(Br)cc2)cc1N
InChIInChI=1S/C14H14BrN5/c1-9-12(7-19(2)17-9)14-13(16)8-20(18-14)11-5-3-10(15)4-6-11/h3-8H,16H2,1-2H3
InChIKeyIRHUTPIBKLLDON-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.93
Rot. Bonds2

About 1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine

1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine (PubChem CID 83222401) has the molecular formula C14H14BrN5 and a molecular weight of 332.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine
PubChem CID83222401
Molecular FormulaC14H14BrN5
Molecular Weight332.21 g/mol
Exact Mass331.04
IUPAC Name1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine
SMILESCc1nn(C)cc1-c1nn(-c2ccc(Br)cc2)cc1N
InChIInChI=1S/C14H14BrN5/c1-9-12(7-19(2)17-9)14-13(16)8-20(18-14)11-5-3-10(15)4-6-11/h3-8H,16H2,1-2H3
InChIKeyIRHUTPIBKLLDON-UHFFFAOYSA-N
XLogP2.93
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83217202
1-(4-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine
CID 83203583
3-(2-bromophenyl)-1-(4-bromophenyl)pyrazol-4-amine
CID 83223081
3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine
CID 83216722
3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine
CID 83205030
3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83205205
3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83203402
3-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyphenyl)pyrazol-4-amine
CID 83208395
3-(1,3-dimethylpyrazol-4-yl)-1-ethylpyrazol-4-amine
CID 19621294
3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
CID 83205248
5-(1,3-dimethylpyrazol-4-yl)-2,3-dimethylimidazol-4-amine
CID 83092115
3-(4-bromo-2-fluorophenyl)-1-phenylpyrazol-4-amine
CID 83216844

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine (CID 83222401) is 1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine is Cc1nn(C)cc1-c1nn(-c2ccc(Br)cc2)cc1N.
What is the InChIKey of 1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine?
The InChIKey is IRHUTPIBKLLDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5/c1-9-12(7-19(2)17-9)14-13(16)8-20(18-14)11-5-3-10(15)4-6-11/h3-8H,16H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine?
1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine has a molecular weight of 332.21 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine is sourced from PubChem (CID 83222401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).