5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine

C13H17FN4 — CID 43554049

IUPAC5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NCCc2ccccc2F)c1N
InChIInChI=1S/C13H17FN4/c1-9-12(15)13(18(2)17-9)16-8-7-10-5-3-4-6-11(10)14/h3-6,16H,7-8,15H2,1-2H3
InChIKeyDDBZZDJEEMLLEG-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.10
Rot. Bonds4

About 5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine

5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 43554049) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
PubChem CID43554049
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC Name5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NCCc2ccccc2F)c1N
InChIInChI=1S/C13H17FN4/c1-9-12(15)13(18(2)17-9)16-8-7-10-5-3-4-6-11(10)14/h3-6,16H,7-8,15H2,1-2H3
InChIKeyDDBZZDJEEMLLEG-UHFFFAOYSA-N
XLogP2.10
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine
CID 79762588
1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
CID 43554009
1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 114041150
5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965772
N-[2-(2-fluorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 63151902
3-[2-(2-fluorophenyl)ethyl]-1-methylpyrazol-5-amine
CID 82079512
N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine
CID 61311370
1,3-dimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43554069
N-[2-(2-fluorophenyl)ethyl]-3-methyl-5-nitroimidazol-4-amine
CID 18095737
5-N-[2-(2-methoxyphenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 106259807
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
4-amino-3-ethyl-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123361

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine (CID 43554049) is 5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine is Cc1nn(C)c(NCCc2ccccc2F)c1N.
What is the InChIKey of 5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is DDBZZDJEEMLLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-9-12(15)13(18(2)17-9)16-8-7-10-5-3-4-6-11(10)14/h3-6,16H,7-8,15H2,1-2H3.
What are the key properties of 5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine?
5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 248.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 43554049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).