4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine

C16H12BrF2N3 — CID 11660570

IUPAC4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(Br)c1Nc1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H12BrF2N3/c1-22-16(15(17)9-20-22)21-14-4-2-10(3-5-14)11-6-12(18)8-13(19)7-11/h2-9,21H,1H3
InChIKeyAMFOHBXZXUCLSB-UHFFFAOYSA-N
MW364.19 g/mol
LogP4.87
Rot. Bonds3

About 4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine

4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 11660570) has the molecular formula C16H12BrF2N3 and a molecular weight of 364.19 g/mol. Its IUPAC name is 4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID11660570
Molecular FormulaC16H12BrF2N3
Molecular Weight364.19 g/mol
Exact Mass363.02
IUPAC Name4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(Br)c1Nc1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H12BrF2N3/c1-22-16(15(17)9-20-22)21-14-4-2-10(3-5-14)11-6-12(18)8-13(19)7-11/h2-9,21H,1H3
InChIKeyAMFOHBXZXUCLSB-UHFFFAOYSA-N
XLogP4.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 54.87
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
3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine
CID 135894588
1-(4-(Trifluoromethyl)phenyl)-1H-pyrazol-5-amine
CID 12763784
N-(2,4-Difluorophenyl)-N'-[1-(2-fluorobenzyl)-1H-pyrazol-3-YL]urea
CID 2955816
1-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 4593193
1-[4-(butan-2-yl)phenyl]-3-[1-(pentafluorobenzyl)-1H-pyrazol-3-yl]thiourea
CID 2954626
N-(3-fluorophenyl)-N'-{1-[1-(2-phenylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 45200333
N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine
CID 71847986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine (CID 11660570) is 4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine is Cn1ncc(Br)c1Nc1ccc(-c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is AMFOHBXZXUCLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2N3/c1-22-16(15(17)9-20-22)21-14-4-2-10(3-5-14)11-6-12(18)8-13(19)7-11/h2-9,21H,1H3.
What are the key properties of 4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine?
4-bromo-N-[4-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 364.19 g/mol, XLogP of 4.87, 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-(3,5-difluorophenyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 11660570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).