3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine

C12H13F2N3 — CID 117346333

IUPAC3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCC(F)c1c(F)cccc1-c1cc(N)n(C)n1
InChIInChI=1S/C12H13F2N3/c1-7(13)12-8(4-3-5-9(12)14)10-6-11(15)17(2)16-10/h3-7H,15H2,1-2H3
InChIKeyPRJCCDBSBVFMAZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.84
Rot. Bonds2

About 3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine

3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117346333) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117346333
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCC(F)c1c(F)cccc1-c1cc(N)n(C)n1
InChIInChI=1S/C12H13F2N3/c1-7(13)12-8(4-3-5-9(12)14)10-6-11(15)17(2)16-10/h3-7H,15H2,1-2H3
InChIKeyPRJCCDBSBVFMAZ-UHFFFAOYSA-N
XLogP2.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine
CID 115111981
3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine
CID 84741562
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol
CID 115111899
3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117312392
1-methyl-3-naphthalen-1-ylpyrazol-5-amine
CID 43158903
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117376001
3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376795
3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464618
3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112010
3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117378006
3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107883
3-[2-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
CID 117308446

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine (CID 117346333) is 3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine is CC(F)c1c(F)cccc1-c1cc(N)n(C)n1.
What is the InChIKey of 3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is PRJCCDBSBVFMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-7(13)12-8(4-3-5-9(12)14)10-6-11(15)17(2)16-10/h3-7H,15H2,1-2H3.
What are the key properties of 3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine?
3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 237.25 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117346333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).