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

C12H15FN4 — CID 103078066

IUPAC3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C12H15FN4/c1-17-8-11(14)12(16-17)15-6-5-9-3-2-4-10(13)7-9/h2-4,7-8H,5-6,14H2,1H3,(H,15,16)
InChIKeyQKZMPBNGTQFOLB-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.80
Rot. Bonds4

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

3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine (PubChem CID 103078066) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine
PubChem CID103078066
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C12H15FN4/c1-17-8-11(14)12(16-17)15-6-5-9-3-2-4-10(13)7-9/h2-4,7-8H,5-6,14H2,1H3,(H,15,16)
InChIKeyQKZMPBNGTQFOLB-UHFFFAOYSA-N
XLogP1.80
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine
CID 103077847
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine
CID 102756174
3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine
CID 164654726
3-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809119
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102756176
3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine
CID 43566180
3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine
CID 112647165
4-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 65357986
1-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-3,4-diamine
CID 103078356
5-fluoro-4-N-[2-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80774383
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine
CID 81138476

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine (CID 103078066) is 3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine is Cn1cc(N)c(NCCc2cccc(F)c2)n1.
What is the InChIKey of 3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine?
The InChIKey is QKZMPBNGTQFOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-17-8-11(14)12(16-17)15-6-5-9-3-2-4-10(13)7-9/h2-4,7-8H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine?
3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine has a molecular weight of 234.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103078066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).