3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine

C12H14FN3 — CID 46168059

IUPAC3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine
SMILESCC(C)c1[nH]nc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C12H14FN3/c1-7(2)11-10(14)12(16-15-11)8-3-5-9(13)6-4-8/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyAQVPBEUQMFZYEQ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.92
Rot. Bonds2

About 3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine

3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine (PubChem CID 46168059) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine
PubChem CID46168059
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine
SMILESCC(C)c1[nH]nc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C12H14FN3/c1-7(2)11-10(14)12(16-15-11)8-3-5-9(13)6-4-8/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyAQVPBEUQMFZYEQ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine?
The IUPAC name of 3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine (CID 46168059) is 3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine is CC(C)c1[nH]nc(-c2ccc(F)cc2)c1N.
What is the InChIKey of 3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine?
The InChIKey is AQVPBEUQMFZYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-7(2)11-10(14)12(16-15-11)8-3-5-9(13)6-4-8/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine?
3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine has a molecular weight of 219.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-amine is sourced from PubChem (CID 46168059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).