4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine

C16H13BrFN3 — CID 11501104

IUPAC4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine
SMILESCn1cc(Br)c(Nc2ccc(-c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C16H13BrFN3/c1-21-10-15(17)16(20-21)19-14-8-4-12(5-9-14)11-2-6-13(18)7-3-11/h2-10H,1H3,(H,19,20)
InChIKeyNKHXHVMQHMAVAM-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.73
Rot. Bonds3

About 4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine

4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine (PubChem CID 11501104) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is 4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine
PubChem CID11501104
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine
SMILESCn1cc(Br)c(Nc2ccc(-c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C16H13BrFN3/c1-21-10-15(17)16(20-21)19-14-8-4-12(5-9-14)11-2-6-13(18)7-3-11/h2-10H,1H3,(H,19,20)
InChIKeyNKHXHVMQHMAVAM-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-Fluorophenyl)-1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-amine
CID 56950885
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
N-[(2-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 53610789
1-(2,4-difluorophenyl)-4-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-N-(o-tolylmethyl)pyrazol-3-amine
CID 72546773
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine?
The IUPAC name of 4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine (CID 11501104) is 4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine?
The canonical SMILES for 4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine is Cn1cc(Br)c(Nc2ccc(-c3ccc(F)cc3)cc2)n1.
What is the InChIKey of 4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine?
The InChIKey is NKHXHVMQHMAVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c1-21-10-15(17)16(20-21)19-14-8-4-12(5-9-14)11-2-6-13(18)7-3-11/h2-10H,1H3,(H,19,20).
What are the key properties of 4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine?
4-bromo-N-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-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-[4-(4-fluorophenyl)phenyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 11501104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).