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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Related Compounds

N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
CID 17469992
3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide
CID 167907121
N-[(4-fluoro-3-methylphenyl)methyl]-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
CID 25468011
2-(4-fluorophenyl)-5-methyl-4-(3-methylbutyl)-1H-pyrazol-3-one
CID 17168667
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
N-cyclopentyl-3-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111229934
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CID 110125855
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850586
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
CID 110819897
N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
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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).