3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide

C20H26FN3O — CID 169169304

IUPAC3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide
SMILESCCn1nc(Cc2ccc(F)cc2)cc1NC(=O)CCC1CCCC1
InChIInChI=1S/C20H26FN3O/c1-2-24-19(22-20(25)12-9-15-5-3-4-6-15)14-18(23-24)13-16-7-10-17(21)11-8-16/h7-8,10-11,14-15H,2-6,9,12-13H2,1H3,(H,22,25)
InChIKeyZACVPYKTSQOYRX-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.54
Rot. Bonds7

About 3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide

3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide (PubChem CID 169169304) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide
PubChem CID169169304
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide
SMILESCCn1nc(Cc2ccc(F)cc2)cc1NC(=O)CCC1CCCC1
InChIInChI=1S/C20H26FN3O/c1-2-24-19(22-20(25)12-9-15-5-3-4-6-15)14-18(23-24)13-16-7-10-17(21)11-8-16/h7-8,10-11,14-15H,2-6,9,12-13H2,1H3,(H,22,25)
InChIKeyZACVPYKTSQOYRX-UHFFFAOYSA-N
XLogP4.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide (CID 169169304) is 3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide is CCn1nc(Cc2ccc(F)cc2)cc1NC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide?
The InChIKey is ZACVPYKTSQOYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-2-24-19(22-20(25)12-9-15-5-3-4-6-15)14-18(23-24)13-16-7-10-17(21)11-8-16/h7-8,10-11,14-15H,2-6,9,12-13H2,1H3,(H,22,25).
What are the key properties of 3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide?
3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide has a molecular weight of 343.45 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]propanamide is sourced from PubChem (CID 169169304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).