5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine

C13H16BrFN4 — CID 66028061

IUPAC5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFN4/c1-3-6-19-13(12(16)8(2)18-19)17-9-4-5-10(14)11(15)7-9/h4-5,7,17H,3,6,16H2,1-2H3
InChIKeyGBQGSRMRXUDTJR-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.83
Rot. Bonds4

About 5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine

5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine (PubChem CID 66028061) has the molecular formula C13H16BrFN4 and a molecular weight of 327.20 g/mol. Its IUPAC name is 5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine
PubChem CID66028061
Molecular FormulaC13H16BrFN4
Molecular Weight327.20 g/mol
Exact Mass326.05
IUPAC Name5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1ccc(Br)c(F)c1
InChIInChI=1S/C13H16BrFN4/c1-3-6-19-13(12(16)8(2)18-19)17-9-4-5-10(14)11(15)7-9/h4-5,7,17H,3,6,16H2,1-2H3
InChIKeyGBQGSRMRXUDTJR-UHFFFAOYSA-N
XLogP3.83
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-Bromo-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-1,2,3,4,9-pentaaza-benzo[f]azulene
CID 135797576
4-bromo-N-(4-bromophenyl)-1,3-dimethylpyrazol-5-amine
CID 2356907
3-(5-Anilino-3-methylpyrazol-1-yl)propanenitrile
CID 2356882
1H-Pyrazol-5-amine, 1-ethyl-3-methyl-N-phenyl-
CID 2356878
4-bromo-N-(4-bromophenyl)-1-ethyl-3-methylpyrazol-5-amine
CID 2356923
1-(4-bromophenyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867844
5-Methyl-3-phenyldiazenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-amine
CID 171357235
1H-Pyrazol-5-amine, 1,3-dimethyl-N-phenyl-
CID 2356881
4-[(4-bromophenyl)diazenyl]-5-methyl-N-phenyl-1H-pyrazol-3-amine
CID 4691307
N-(4-Bromo-2-fluorophenyl)-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidine-4-carboxamide
CID 20929116
2[1-(4-Fluorophenyl)-3-methyl-5-pyrazolyl] amino-2-imidazoline
CID 12763818
1-[2-(3-Fluorophenyl)-5-methylpyrazol-3-yl]piperazine
CID 23014240

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine (CID 66028061) is 5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1Nc1ccc(Br)c(F)c1.
What is the InChIKey of 5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The InChIKey is GBQGSRMRXUDTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN4/c1-3-6-19-13(12(16)8(2)18-19)17-9-4-5-10(14)11(15)7-9/h4-5,7,17H,3,6,16H2,1-2H3.
What are the key properties of 5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine has a molecular weight of 327.20 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-bromo-3-fluorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66028061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).