1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine

C13H16FN3 — CID 66439624

IUPAC1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1c(N)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-9(2)13-12(15)7-16-17(13)8-10-3-5-11(14)6-4-10/h3-7,9H,8,15H2,1-2H3
InChIKeyLAWDXRKQOBVBNE-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.78
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine

1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine (PubChem CID 66439624) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine
PubChem CID66439624
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1c(N)cnn1Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-9(2)13-12(15)7-16-17(13)8-10-3-5-11(14)6-4-10/h3-7,9H,8,15H2,1-2H3
InChIKeyLAWDXRKQOBVBNE-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine (CID 66439624) is 1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine is CC(C)c1c(N)cnn1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine?
The InChIKey is LAWDXRKQOBVBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(2)13-12(15)7-16-17(13)8-10-3-5-11(14)6-4-10/h3-7,9H,8,15H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine?
1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine has a molecular weight of 233.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66439624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).