N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide

C21H30N4O5S — CID 50794622

IUPACN-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)c(OC)c1
InChIInChI=1S/C21H30N4O5S/c1-15-21(31(27,28)24-11-6-5-7-12-24)16(2)25(23-15)13-10-20(26)22-18-9-8-17(29-3)14-19(18)30-4/h8-9,14H,5-7,10-13H2,1-4H3,(H,22,26)
InChIKeyWVBQPKSBRGZXLC-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.72
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide

N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide (PubChem CID 50794622) has the molecular formula C21H30N4O5S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
PubChem CID50794622
Molecular FormulaC21H30N4O5S
Molecular Weight450.56 g/mol
Exact Mass450.19
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)c(OC)c1
InChIInChI=1S/C21H30N4O5S/c1-15-21(31(27,28)24-11-6-5-7-12-24)16(2)25(23-15)13-10-20(26)22-18-9-8-17(29-3)14-19(18)30-4/h8-9,14H,5-7,10-13H2,1-4H3,(H,22,26)
InChIKeyWVBQPKSBRGZXLC-UHFFFAOYSA-N
XLogP2.72
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345046
3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 50794574
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 46345015
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794579
N-(3,4-dimethylphenyl)-3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 46345049
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
N-(2,4-difluorophenyl)-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 46345113
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 46345095
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 50794531
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 42996635
3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 46345116

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide (CID 50794622) is N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide is COc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide?
The InChIKey is WVBQPKSBRGZXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5S/c1-15-21(31(27,28)24-11-6-5-7-12-24)16(2)25(23-15)13-10-20(26)22-18-9-8-17(29-3)14-19(18)30-4/h8-9,14H,5-7,10-13H2,1-4H3,(H,22,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide?
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide has a molecular weight of 450.56 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide is sourced from PubChem (CID 50794622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).