4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine

C12H14FN3 — CID 63210316

IUPAC4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1ccc(F)c(C)c1
InChIInChI=1S/C12H14FN3/c1-3-9-11(15-16-12(9)14)8-4-5-10(13)7(2)6-8/h4-6H,3H2,1-2H3,(H3,14,15,16)
InChIKeyZCWCKNZBZNPQJK-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.67
Rot. Bonds2

About 4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine

4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 63210316) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
PubChem CID63210316
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1ccc(F)c(C)c1
InChIInChI=1S/C12H14FN3/c1-3-9-11(15-16-12(9)14)8-4-5-10(13)7(2)6-8/h4-6H,3H2,1-2H3,(H3,14,15,16)
InChIKeyZCWCKNZBZNPQJK-UHFFFAOYSA-N
XLogP2.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine (CID 63210316) is 4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine is CCc1c(N)n[nH]c1-c1ccc(F)c(C)c1.
What is the InChIKey of 4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is ZCWCKNZBZNPQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-3-9-11(15-16-12(9)14)8-4-5-10(13)7(2)6-8/h4-6H,3H2,1-2H3,(H3,14,15,16).
What are the key properties of 4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine?
4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 219.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63210316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).