N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide

C18H22FN3O — CID 95807137

IUPACN-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NC1(c2ccccc2F)CCCC1
InChIInChI=1S/C18H22FN3O/c1-14-8-12-20-22(14)13-9-17(23)21-18(10-4-5-11-18)15-6-2-3-7-16(15)19/h2-3,6-8,12H,4-5,9-11,13H2,1H3,(H,21,23)
InChIKeyXOKSDNFOZJZBCU-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.31
Rot. Bonds5

About N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide

N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 95807137) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID95807137
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NC1(c2ccccc2F)CCCC1
InChIInChI=1S/C18H22FN3O/c1-14-8-12-20-22(14)13-9-17(23)21-18(10-4-5-11-18)15-6-2-3-7-16(15)19/h2-3,6-8,12H,4-5,9-11,13H2,1H3,(H,21,23)
InChIKeyXOKSDNFOZJZBCU-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide (CID 95807137) is N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1CCC(=O)NC1(c2ccccc2F)CCCC1.
What is the InChIKey of N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is XOKSDNFOZJZBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-14-8-12-20-22(14)13-9-17(23)21-18(10-4-5-11-18)15-6-2-3-7-16(15)19/h2-3,6-8,12H,4-5,9-11,13H2,1H3,(H,21,23).
What are the key properties of N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide?
N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 315.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)cyclopentyl]-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 95807137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).