1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine

C20H23FN4 — CID 152648474

IUPAC1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine
SMILESCCc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CC(N)CC
InChIInChI=1S/C20H23FN4/c1-3-17(22)13-25-18(4-2)19(14-9-11-23-12-10-14)20(24-25)15-5-7-16(21)8-6-15/h5-12,17H,3-4,13,22H2,1-2H3
InChIKeyZHBABOHIOVZOST-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.05
Rot. Bonds6

About 1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine

1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine (PubChem CID 152648474) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine
PubChem CID152648474
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine
SMILESCCc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CC(N)CC
InChIInChI=1S/C20H23FN4/c1-3-17(22)13-25-18(4-2)19(14-9-11-23-12-10-14)20(24-25)15-5-7-16(21)8-6-15/h5-12,17H,3-4,13,22H2,1-2H3
InChIKeyZHBABOHIOVZOST-UHFFFAOYSA-N
XLogP4.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine?
The IUPAC name of 1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine (CID 152648474) is 1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine.
What is the SMILES notation for 1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine?
The canonical SMILES for 1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine is CCc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CC(N)CC.
What is the InChIKey of 1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine?
The InChIKey is ZHBABOHIOVZOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4/c1-3-17(22)13-25-18(4-2)19(14-9-11-23-12-10-14)20(24-25)15-5-7-16(21)8-6-15/h5-12,17H,3-4,13,22H2,1-2H3.
What are the key properties of 1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine?
1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine has a molecular weight of 338.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]butan-2-amine is sourced from PubChem (CID 152648474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).