5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine

C12H14BrFN4 — CID 66012013

IUPAC5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN4/c1-3-18-12(11(15)7(2)17-18)16-10-5-4-8(13)6-9(10)14/h4-6,16H,3,15H2,1-2H3
InChIKeyUHVDWODVDGCQSP-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.44
Rot. Bonds3

About 5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine

5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 66012013) has the molecular formula C12H14BrFN4 and a molecular weight of 313.17 g/mol. Its IUPAC name is 5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID66012013
Molecular FormulaC12H14BrFN4
Molecular Weight313.17 g/mol
Exact Mass312.04
IUPAC Name5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN4/c1-3-18-12(11(15)7(2)17-18)16-10-5-4-8(13)6-9(10)14/h4-6,16H,3,15H2,1-2H3
InChIKeyUHVDWODVDGCQSP-UHFFFAOYSA-N
XLogP3.44
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.44
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
1-(3-bromophenyl)-3-methyl-1H-pyrazol-5-amine
CID 16228125
N-(4-bromo-2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5309364
1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
CID 57391504
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

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine (CID 66012013) is 5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1Nc1ccc(Br)cc1F.
What is the InChIKey of 5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is UHVDWODVDGCQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN4/c1-3-18-12(11(15)7(2)17-18)16-10-5-4-8(13)6-9(10)14/h4-6,16H,3,15H2,1-2H3.
What are the key properties of 5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 313.17 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-bromo-2-fluorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66012013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).