N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide

C20H27N3O3 — CID 56552927

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C20H27N3O3/c1-14-8-9-17(18(10-14)25-2)26-13-20(24)21-19-12-16(22-23-19)11-15-6-4-3-5-7-15/h8-10,12,15H,3-7,11,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyWATYYVIGFIRXNQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.87
Rot. Bonds7

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 56552927) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID56552927
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C20H27N3O3/c1-14-8-9-17(18(10-14)25-2)26-13-20(24)21-19-12-16(22-23-19)11-15-6-4-3-5-7-15/h8-10,12,15H,3-7,11,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyWATYYVIGFIRXNQ-UHFFFAOYSA-N
XLogP3.87
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide
CID 126792996
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 56553284
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56826864
N-cyclopropyl-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 18163671
2-cyclohexyloxy-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47289841
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17213450
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354234
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 55861896
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223
5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 56553126

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide (CID 56552927) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)Nc1cc(CC2CCCCC2)[nH]n1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is WATYYVIGFIRXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-8-9-17(18(10-14)25-2)26-13-20(24)21-19-12-16(22-23-19)11-15-6-4-3-5-7-15/h8-10,12,15H,3-7,11,13H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 56552927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).