[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine

C13H16FN3 — CID 66441076

IUPAC[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
SMILESCC(C)c1c(CN)cnn1-c1ccccc1F
InChIInChI=1S/C13H16FN3/c1-9(2)13-10(7-15)8-16-17(13)12-6-4-3-5-11(12)14/h3-6,8-9H,7,15H2,1-2H3
InChIKeySZEARMZKYDVKNH-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.59
Rot. Bonds3

About [1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine

[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine (PubChem CID 66441076) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
PubChem CID66441076
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
SMILESCC(C)c1c(CN)cnn1-c1ccccc1F
InChIInChI=1S/C13H16FN3/c1-9(2)13-10(7-15)8-16-17(13)12-6-4-3-5-11(12)14/h3-6,8-9H,7,15H2,1-2H3
InChIKeySZEARMZKYDVKNH-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine (CID 66441076) is [1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine is CC(C)c1c(CN)cnn1-c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
The InChIKey is SZEARMZKYDVKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(2)13-10(7-15)8-16-17(13)12-6-4-3-5-11(12)14/h3-6,8-9H,7,15H2,1-2H3.
What are the key properties of [1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine?
[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine has a molecular weight of 233.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine is sourced from PubChem (CID 66441076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).