N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide

C21H23N3O2 — CID 5300709

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C21H23N3O2/c1-16-14-20(24(23-16)15-18-6-4-3-5-7-18)22-21(25)13-10-17-8-11-19(26-2)12-9-17/h3-9,11-12,14H,10,13,15H2,1-2H3,(H,22,25)
InChIKeyWIWZIKSKUWTSIV-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.82
Rot. Bonds7

About N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide

N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 5300709) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID5300709
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C21H23N3O2/c1-16-14-20(24(23-16)15-18-6-4-3-5-7-18)22-21(25)13-10-17-8-11-19(26-2)12-9-17/h3-9,11-12,14H,10,13,15H2,1-2H3,(H,22,25)
InChIKeyWIWZIKSKUWTSIV-UHFFFAOYSA-N
XLogP3.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 39891220
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704826
N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide
CID 86922182
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
CID 35521241
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005414
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112822182
N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide
CID 47022209
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 19337840
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide
CID 1225812
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide (CID 5300709) is N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is WIWZIKSKUWTSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-14-20(24(23-16)15-18-6-4-3-5-7-18)22-21(25)13-10-17-8-11-19(26-2)12-9-17/h3-9,11-12,14H,10,13,15H2,1-2H3,(H,22,25).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 5300709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).