3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine

C11H13FN4 — CID 103077980

IUPAC3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine
SMILESCc1ccc(Nc2nn(C)cc2N)c(F)c1
InChIInChI=1S/C11H13FN4/c1-7-3-4-10(8(12)5-7)14-11-9(13)6-16(2)15-11/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyLJOOYAOOVSBSID-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.19
Rot. Bonds2

About 3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine

3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine (PubChem CID 103077980) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine
PubChem CID103077980
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine
SMILESCc1ccc(Nc2nn(C)cc2N)c(F)c1
InChIInChI=1S/C11H13FN4/c1-7-3-4-10(8(12)5-7)14-11-9(13)6-16(2)15-11/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyLJOOYAOOVSBSID-UHFFFAOYSA-N
XLogP2.19
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine
CID 103078443
1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine
CID 103078765
2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554521
5-bromo-4-N-(2-fluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755125
3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine
CID 103078820
3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine
CID 107571372
3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647070
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine
CID 43261717
1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067499
6-N-(2-fluoro-4-methylphenyl)pyridine-2,6-diamine
CID 80646846
N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine
CID 69242792

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine (CID 103077980) is 3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine is Cc1ccc(Nc2nn(C)cc2N)c(F)c1.
What is the InChIKey of 3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine?
The InChIKey is LJOOYAOOVSBSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-7-3-4-10(8(12)5-7)14-11-9(13)6-16(2)15-11/h3-6H,13H2,1-2H3,(H,14,15).
What are the key properties of 3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine?
3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine has a molecular weight of 220.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103077980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).