3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine

C17H16BrN3 — CID 83205131

IUPAC3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1cccc(Cn2cc(N)c(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C17H16BrN3/c1-12-3-2-4-13(9-12)10-21-11-16(19)17(20-21)14-5-7-15(18)8-6-14/h2-9,11H,10,19H2,1H3
InChIKeyMUAMIQNOJKWWCZ-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.25
Rot. Bonds3

About 3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine

3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine (PubChem CID 83205131) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
PubChem CID83205131
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1cccc(Cn2cc(N)c(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C17H16BrN3/c1-12-3-2-4-13(9-12)10-21-11-16(19)17(20-21)14-5-7-15(18)8-6-14/h2-9,11H,10,19H2,1H3
InChIKeyMUAMIQNOJKWWCZ-UHFFFAOYSA-N
XLogP4.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758609
3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83223400
3-(2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83204094
1-[(3-methylphenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222416
1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
CID 83222787
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine
CID 83203193
3,5-bis(4-bromophenyl)-4-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 17025409
1-ethyl-3-(3-methylphenyl)pyrazol-4-amine
CID 83216683
3-(4-bromothiophen-2-yl)-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 107354952
1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine
CID 83222946
4-bromo-3-iodo-1-[(3-methylphenyl)methyl]pyrazole
CID 79784801
3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83222255

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine (CID 83205131) is 3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine is Cc1cccc(Cn2cc(N)c(-c3ccc(Br)cc3)n2)c1.
What is the InChIKey of 3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
The InChIKey is MUAMIQNOJKWWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-12-3-2-4-13(9-12)10-21-11-16(19)17(20-21)14-5-7-15(18)8-6-14/h2-9,11H,10,19H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine?
3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine has a molecular weight of 342.24 g/mol, XLogP of 4.25, 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-[(3-methylphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 83205131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).