3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine

C12H14FN3 — CID 117312392

IUPAC3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCC(F)c1ccc(-c2cc(N)n(C)n2)cc1
InChIInChI=1S/C12H14FN3/c1-8(13)9-3-5-10(6-4-9)11-7-12(14)16(2)15-11/h3-8H,14H2,1-2H3
InChIKeyRIDBKSNKASYMLG-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.70
Rot. Bonds2

About 3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine

3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117312392) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117312392
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCC(F)c1ccc(-c2cc(N)n(C)n2)cc1
InChIInChI=1S/C12H14FN3/c1-8(13)9-3-5-10(6-4-9)11-7-12(14)16(2)15-11/h3-8H,14H2,1-2H3
InChIKeyRIDBKSNKASYMLG-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117376001
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol
CID 137017249
3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117474567
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433
3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117346333
1-methyl-3-(4-methyl-3-methylsulfanylphenyl)pyrazol-5-amine
CID 117338985
1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazol-5-amine
CID 75486820
1-methyl-3-[4-(thietan-3-yl)phenyl]pyrazol-5-amine
CID 117365781
3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 123961283
3-[4-(1,3-dioxolan-4-yl)phenyl]-1-methylpyrazol-5-amine
CID 117365167
1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921950

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine (CID 117312392) is 3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine is CC(F)c1ccc(-c2cc(N)n(C)n2)cc1.
What is the InChIKey of 3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is RIDBKSNKASYMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8(13)9-3-5-10(6-4-9)11-7-12(14)16(2)15-11/h3-8H,14H2,1-2H3.
What are the key properties of 3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine?
3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 219.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117312392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).