3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine

C16H14BrN3 — CID 43336800

IUPAC3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine
SMILESCc1c(-c2ccccc2Br)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H14BrN3/c1-11-15(13-9-5-6-10-14(13)17)19-20(16(11)18)12-7-3-2-4-8-12/h2-10H,18H2,1H3
InChIKeyGVNQUYKHLOAXGY-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.19
Rot. Bonds2

About 3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine

3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine (PubChem CID 43336800) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine
PubChem CID43336800
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine
SMILESCc1c(-c2ccccc2Br)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H14BrN3/c1-11-15(13-9-5-6-10-14(13)17)19-20(16(11)18)12-7-3-2-4-8-12/h2-10H,18H2,1H3
InChIKeyGVNQUYKHLOAXGY-UHFFFAOYSA-N
XLogP4.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
3-(3-chloro-2-fluorophenyl)-4-methyl-1-phenylpyrazol-5-amine
CID 81267627
4-methyl-3-(3-methylfuran-2-yl)-1-phenylpyrazol-5-amine
CID 43159004
4,5-bis(2-bromophenyl)-2-phenyltriazole
CID 141418931
4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid
CID 145013429
ethane;4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
CID 142337289
5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 131866673
3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-amine
CID 146550498
4-methyl-3-(2-methyl-1,4-dihydropyrimidin-5-yl)-1-phenylpyrazol-5-amine
CID 146237735
3-(2-bromophenyl)-1-phenylisochromeno[4,3-c]pyrazol-5-one
CID 132514470
5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate
CID 174915893

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine (CID 43336800) is 3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine is Cc1c(-c2ccccc2Br)nn(-c2ccccc2)c1N.
What is the InChIKey of 3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine?
The InChIKey is GVNQUYKHLOAXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-11-15(13-9-5-6-10-14(13)17)19-20(16(11)18)12-7-3-2-4-8-12/h2-10H,18H2,1H3.
What are the key properties of 3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine?
3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine has a molecular weight of 328.21 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 43336800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).