4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine

C16H13BrFN3 — CID 11602657

IUPAC4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(Br)c1Nc1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H13BrFN3/c1-21-16(14(17)10-19-21)20-12-7-8-13(15(18)9-12)11-5-3-2-4-6-11/h2-10,20H,1H3
InChIKeyYMGZXHRDSLSORY-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.73
Rot. Bonds3

About 4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine

4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine (PubChem CID 11602657) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine
PubChem CID11602657
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(Br)c1Nc1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H13BrFN3/c1-21-16(14(17)10-19-21)20-12-7-8-13(15(18)9-12)11-5-3-2-4-6-11/h2-10,20H,1H3
InChIKeyYMGZXHRDSLSORY-UHFFFAOYSA-N
XLogP4.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
4-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2764841
4-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2764845
4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 2764851
4-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 4315883
2-Benzyl-7-fluoro-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 136026490
10-(4-Benzyl-piperazin-1-yl)-7-fluoro-2-methyl-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759092
1-(4-Methylphenyl)-1H-pyrazol-5-amine
CID 21585111
3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine
CID 135894588
N-(2,4-Difluorophenyl)-N'-[1-(2-fluorobenzyl)-1H-pyrazol-3-YL]urea
CID 2955816
6-(4-Aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine
CID 24894507
1-(4-Fluorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
CID 155539931

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine (CID 11602657) is 4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine is Cn1ncc(Br)c1Nc1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is YMGZXHRDSLSORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-21-16(14(17)10-19-21)20-12-7-8-13(15(18)9-12)11-5-3-2-4-6-11/h2-10,20H,1H3.
What are the key properties of 4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine?
4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 346.20 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-fluoro-4-phenylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 11602657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).