N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide

C19H25N3O2 — CID 134022496

IUPACN-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H25N3O2/c1-15-7-2-5-10-17(15)24-14-6-11-19(23)21-18-12-13-20-22(18)16-8-3-4-9-16/h2,5,7,10,12-13,16H,3-4,6,8-9,11,14H2,1H3,(H,21,23)
InChIKeyIJKFKXHVKJPVSB-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.10
Rot. Bonds7

About N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide

N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide (PubChem CID 134022496) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
PubChem CID134022496
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H25N3O2/c1-15-7-2-5-10-17(15)24-14-6-11-19(23)21-18-12-13-20-22(18)16-8-3-4-9-16/h2,5,7,10,12-13,16H,3-4,6,8-9,11,14H2,1H3,(H,21,23)
InChIKeyIJKFKXHVKJPVSB-UHFFFAOYSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 78772110
N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
CID 134022419
2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 51145877
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 39949423
3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide
CID 78807984
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140097
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798
N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
CID 51224525
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
N-(2-cyclopentylpyrazol-3-yl)-2-(4-ethoxyanilino)acetamide
CID 78815624
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7980188

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide (CID 134022496) is N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide is Cc1ccccc1OCCCC(=O)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide?
The InChIKey is IJKFKXHVKJPVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-7-2-5-10-17(15)24-14-6-11-19(23)21-18-12-13-20-22(18)16-8-3-4-9-16/h2,5,7,10,12-13,16H,3-4,6,8-9,11,14H2,1H3,(H,21,23).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide?
N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide has a molecular weight of 327.43 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 134022496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).