4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride

C11H13BrClN3 — CID 50988501

IUPAC4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride
SMILESCc1nn(C)c(N)c1-c1ccc(Br)cc1.Cl
InChIInChI=1S/C11H12BrN3.ClH/c1-7-10(11(13)15(2)14-7)8-3-5-9(12)6-4-8;/h3-6H,13H2,1-2H3;1H
InChIKeyNKQQUIJARLBWPZ-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.16
Rot. Bonds1

About 4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride

4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride (PubChem CID 50988501) has the molecular formula C11H13BrClN3 and a molecular weight of 302.60 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride
PubChem CID50988501
Molecular FormulaC11H13BrClN3
Molecular Weight302.60 g/mol
Exact Mass301.00
IUPAC Name4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride
SMILESCc1nn(C)c(N)c1-c1ccc(Br)cc1.Cl
InChIInChI=1S/C11H12BrN3.ClH/c1-7-10(11(13)15(2)14-7)8-3-5-9(12)6-4-8;/h3-6H,13H2,1-2H3;1H
InChIKeyNKQQUIJARLBWPZ-UHFFFAOYSA-N
XLogP3.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride?
The IUPAC name of 4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride (CID 50988501) is 4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride.
What is the SMILES notation for 4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride?
The canonical SMILES for 4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride is Cc1nn(C)c(N)c1-c1ccc(Br)cc1.Cl.
What is the InChIKey of 4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride?
The InChIKey is NKQQUIJARLBWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3.ClH/c1-7-10(11(13)15(2)14-7)8-3-5-9(12)6-4-8;/h3-6H,13H2,1-2H3;1H.
What are the key properties of 4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride?
4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride has a molecular weight of 302.60 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine;hydrochloride is sourced from PubChem (CID 50988501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).