2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide

C21H23N3O2 — CID 9377721

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C21H23N3O2/c1-15-20(16(2)24(23-15)18-9-5-4-6-10-18)13-21(25)22-14-17-8-7-11-19(12-17)26-3/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyXQZQWWLNTVLLLL-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.36
Rot. Bonds6

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 9377721) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID9377721
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C21H23N3O2/c1-15-20(16(2)24(23-15)18-9-5-4-6-10-18)13-21(25)22-14-17-8-7-11-19(12-17)26-3/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyXQZQWWLNTVLLLL-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 89224809
CID 89224809
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 34050863
N-[(4-bromophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106227
2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 110731154
methyl (2S,4R)-4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-1-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 118756486
N-[(4-cyanophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106481
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 25106305
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[(3-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9427471
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9042472
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide (CID 9377721) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is XQZQWWLNTVLLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-20(16(2)24(23-15)18-9-5-4-6-10-18)13-21(25)22-14-17-8-7-11-19(12-17)26-3/h4-12H,13-14H2,1-3H3,(H,22,25).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 9377721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).