N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide

C18H22FN3O2 — CID 17460627

IUPACN-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1CCCC1
InChIInChI=1S/C18H22FN3O2/c1-12-16(10-11-17(23)20-14-4-2-3-5-14)18(24)22(21-12)15-8-6-13(19)7-9-15/h6-9,14,21H,2-5,10-11H2,1H3,(H,20,23)
InChIKeyIULCMPSUUMDHHH-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.60
Rot. Bonds5

About N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide

N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide (PubChem CID 17460627) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
PubChem CID17460627
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1CCCC1
InChIInChI=1S/C18H22FN3O2/c1-12-16(10-11-17(23)20-14-4-2-3-5-14)18(24)22(21-12)15-8-6-13(19)7-9-15/h6-9,14,21H,2-5,10-11H2,1H3,(H,20,23)
InChIKeyIULCMPSUUMDHHH-UHFFFAOYSA-N
XLogP2.60
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide (CID 17460627) is N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide is Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The InChIKey is IULCMPSUUMDHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12-16(10-11-17(23)20-14-4-2-3-5-14)18(24)22(21-12)15-8-6-13(19)7-9-15/h6-9,14,21H,2-5,10-11H2,1H3,(H,20,23).
What are the key properties of N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide has a molecular weight of 331.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 17460627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).