4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine

C13H12BrN5 — CID 103118857

IUPAC4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
SMILESCn1ccc(-c2[nH]nc(N)c2-c2ccccc2Br)n1
InChIInChI=1S/C13H12BrN5/c1-19-7-6-10(18-19)12-11(13(15)17-16-12)8-4-2-3-5-9(8)14/h2-7H,1H3,(H3,15,16,17)
InChIKeyBAWPFIFJEWURPQ-UHFFFAOYSA-N
MW318.18 g/mol
LogP2.82
Rot. Bonds2

About 4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine

4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine (PubChem CID 103118857) has the molecular formula C13H12BrN5 and a molecular weight of 318.18 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
PubChem CID103118857
Molecular FormulaC13H12BrN5
Molecular Weight318.18 g/mol
Exact Mass317.03
IUPAC Name4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
SMILESCn1ccc(-c2[nH]nc(N)c2-c2ccccc2Br)n1
InChIInChI=1S/C13H12BrN5/c1-19-7-6-10(18-19)12-11(13(15)17-16-12)8-4-2-3-5-9(8)14/h2-7H,1H3,(H3,15,16,17)
InChIKeyBAWPFIFJEWURPQ-UHFFFAOYSA-N
XLogP2.82
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118931
4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118619
4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 62829467
4-(2-bromophenyl)-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 62831030
4-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118649
4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 62829643
5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine
CID 62829642
4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine
CID 104670712
4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
CID 104519711
4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine
CID 83154716
4-(2-bromophenyl)-1-methylimidazol-2-amine
CID 45480352
5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 107955079

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine (CID 103118857) is 4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine is Cn1ccc(-c2[nH]nc(N)c2-c2ccccc2Br)n1.
What is the InChIKey of 4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The InChIKey is BAWPFIFJEWURPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5/c1-19-7-6-10(18-19)12-11(13(15)17-16-12)8-4-2-3-5-9(8)14/h2-7H,1H3,(H3,15,16,17).
What are the key properties of 4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine has a molecular weight of 318.18 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 103118857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).