N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide

C24H20N4O3 — CID 18674028

IUPACN-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
SMILESCn1nc(-c2ccc3c(c2)OCO3)c(-c2ccncc2)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H20N4O3/c1-28-24(26-21(29)13-16-5-3-2-4-6-16)22(17-9-11-25-12-10-17)23(27-28)18-7-8-19-20(14-18)31-15-30-19/h2-12,14H,13,15H2,1H3,(H,26,29)
InChIKeyHUCGWMLUHJEHHM-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.06
Rot. Bonds5

About N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide

N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide (PubChem CID 18674028) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
PubChem CID18674028
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
SMILESCn1nc(-c2ccc3c(c2)OCO3)c(-c2ccncc2)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C24H20N4O3/c1-28-24(26-21(29)13-16-5-3-2-4-6-16)22(17-9-11-25-12-10-17)23(27-28)18-7-8-19-20(14-18)31-15-30-19/h2-12,14H,13,15H2,1H3,(H,26,29)
InChIKeyHUCGWMLUHJEHHM-UHFFFAOYSA-N
XLogP4.06
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 69009789
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide
CID 18674147
[3-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-4-[4-[(2-phenylacetyl)amino]phenyl]pyrazol-5-yl] acetate
CID 42838275
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide
CID 18674145
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983
2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
CID 46983709
N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]ethanamine
CID 26331039
3-[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]-N-(1-phenylethyl)propanamide
CID 50768256
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphenyl)acetamide
CID 832236
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 5044057
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-methylpropanediamide
CID 108946171
2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol
CID 11638140

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide (CID 18674028) is N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide is Cn1nc(-c2ccc3c(c2)OCO3)c(-c2ccncc2)c1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide?
The InChIKey is HUCGWMLUHJEHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-28-24(26-21(29)13-16-5-3-2-4-6-16)22(17-9-11-25-12-10-17)23(27-28)18-7-8-19-20(14-18)31-15-30-19/h2-12,14H,13,15H2,1H3,(H,26,29).
What are the key properties of N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide?
N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide has a molecular weight of 412.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 18674028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).