3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine

C12H15FN4O — CID 103078820

IUPAC3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine
SMILESCCOc1ccc(Nc2nn(C)cc2N)cc1F
InChIInChI=1S/C12H15FN4O/c1-3-18-11-5-4-8(6-9(11)13)15-12-10(14)7-17(2)16-12/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyMPPQQJXTEOHELI-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.28
Rot. Bonds4

About 3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine

3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine (PubChem CID 103078820) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine
PubChem CID103078820
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine
SMILESCCOc1ccc(Nc2nn(C)cc2N)cc1F
InChIInChI=1S/C12H15FN4O/c1-3-18-11-5-4-8(6-9(11)13)15-12-10(14)7-17(2)16-12/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyMPPQQJXTEOHELI-UHFFFAOYSA-N
XLogP2.28
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine
CID 113399696
N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine
CID 106579931
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
4-ethoxy-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 115743252
4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine
CID 102803626
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
2-N,4-N-bis(3-amino-4-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060532
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 113399790
N-(2-chloroethyl)-4-ethoxy-3-fluoroaniline
CID 115214595
5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106964549

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine (CID 103078820) is 3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine is CCOc1ccc(Nc2nn(C)cc2N)cc1F.
What is the InChIKey of 3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine?
The InChIKey is MPPQQJXTEOHELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-3-18-11-5-4-8(6-9(11)13)15-12-10(14)7-17(2)16-12/h4-7H,3,14H2,1-2H3,(H,15,16).
What are the key properties of 3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine?
3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine has a molecular weight of 250.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103078820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).