N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide

C21H23N3O2 — CID 45155186

IUPACN-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2ccnn2Cc2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c1-15-11-16(2)13-19(12-15)26-17(3)21(25)23-20-9-10-22-24(20)14-18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,23,25)
InChIKeyHKYFHABPCCFEQR-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.95
Rot. Bonds6

About N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide

N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide (PubChem CID 45155186) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
PubChem CID45155186
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2ccnn2Cc2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c1-15-11-16(2)13-19(12-15)26-17(3)21(25)23-20-9-10-22-24(20)14-18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,23,25)
InChIKeyHKYFHABPCCFEQR-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 35576672
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]propanamide
CID 39834759
2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 51064444
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579932
(2R)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 26725935
(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579924
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 35673332
(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 31976291
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18102461
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide
CID 45154155
N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide
CID 45155158

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide (CID 45155186) is N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OC(C)C(=O)Nc2ccnn2Cc2ccccc2)c1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide?
The InChIKey is HKYFHABPCCFEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-11-16(2)13-19(12-15)26-17(3)21(25)23-20-9-10-22-24(20)14-18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,23,25).
What are the key properties of N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide?
N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 45155186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).