1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine

C17H16BrN3O — CID 17381507

IUPAC1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine
SMILESCOCc1nn(-c2ccc(Br)cc2)c(N)c1-c1ccccc1
InChIInChI=1S/C17H16BrN3O/c1-22-11-15-16(12-5-3-2-4-6-12)17(19)21(20-15)14-9-7-13(18)8-10-14/h2-10H,11,19H2,1H3
InChIKeyBBTKFLCOXNBIHB-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine

1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine (PubChem CID 17381507) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine
PubChem CID17381507
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine
SMILESCOCc1nn(-c2ccc(Br)cc2)c(N)c1-c1ccccc1
InChIInChI=1S/C17H16BrN3O/c1-22-11-15-16(12-5-3-2-4-6-12)17(19)21(20-15)14-9-7-13(18)8-10-14/h2-10H,11,19H2,1H3
InChIKeyBBTKFLCOXNBIHB-UHFFFAOYSA-N
XLogP4.03
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine (CID 17381507) is 1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine is COCc1nn(-c2ccc(Br)cc2)c(N)c1-c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine?
The InChIKey is BBTKFLCOXNBIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-22-11-15-16(12-5-3-2-4-6-12)17(19)21(20-15)14-9-7-13(18)8-10-14/h2-10H,11,19H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine?
1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine has a molecular weight of 358.24 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(methoxymethyl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 17381507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).