N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide

C17H19F2N3O2 — CID 136564832

IUPACN-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide
SMILESCn1nc(C2CCCC2)cc1NC(=O)COc1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2N3O2/c1-22-16(9-15(21-22)11-4-2-3-5-11)20-17(23)10-24-12-6-7-13(18)14(19)8-12/h6-9,11H,2-5,10H2,1H3,(H,20,23)
InChIKeyRMMWSBLTUJRKQX-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.37
Rot. Bonds5

About N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide

N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide (PubChem CID 136564832) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide
PubChem CID136564832
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC NameN-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide
SMILESCn1nc(C2CCCC2)cc1NC(=O)COc1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2N3O2/c1-22-16(9-15(21-22)11-4-2-3-5-11)20-17(23)10-24-12-6-7-13(18)14(19)8-12/h6-9,11H,2-5,10H2,1H3,(H,20,23)
InChIKeyRMMWSBLTUJRKQX-UHFFFAOYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methoxyacetamide
CID 134797788
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-phenylacetamide
CID 134799695
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-fluorobenzamide
CID 134798522
2-(3,4-difluorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7707055
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
1-(3-cyclopentyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 25242544
3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 120611478
(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 119337699
methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
CID 134798076
(3-cyclopropyl-1-methylpyrazol-5-yl)carbamic acid
CID 69157729
N-(3-cyclohexyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 119337707

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide?
The IUPAC name of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide (CID 136564832) is N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide.
What is the SMILES notation for N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide?
The canonical SMILES for N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide is Cn1nc(C2CCCC2)cc1NC(=O)COc1ccc(F)c(F)c1.
What is the InChIKey of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide?
The InChIKey is RMMWSBLTUJRKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-22-16(9-15(21-22)11-4-2-3-5-11)20-17(23)10-24-12-6-7-13(18)14(19)8-12/h6-9,11H,2-5,10H2,1H3,(H,20,23).
What are the key properties of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide?
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide has a molecular weight of 335.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenoxy)acetamide is sourced from PubChem (CID 136564832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).