3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide

C22H23N3O3 — CID 118767035

IUPAC3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
SMILESCCCc1cc(CN(C)C(=O)c2cccc(-c3ccc4c(c3)OCO4)c2)[nH]n1
InChIInChI=1S/C22H23N3O3/c1-3-5-18-12-19(24-23-18)13-25(2)22(26)17-7-4-6-15(10-17)16-8-9-20-21(11-16)28-14-27-20/h4,6-12H,3,5,13-14H2,1-2H3,(H,23,24)
InChIKeySWLLMORXWAYIAC-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.03
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide

3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide (PubChem CID 118767035) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
PubChem CID118767035
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
SMILESCCCc1cc(CN(C)C(=O)c2cccc(-c3ccc4c(c3)OCO4)c2)[nH]n1
InChIInChI=1S/C22H23N3O3/c1-3-5-18-12-19(24-23-18)13-25(2)22(26)17-7-4-6-15(10-17)16-8-9-20-21(11-16)28-14-27-20/h4,6-12H,3,5,13-14H2,1-2H3,(H,23,24)
InChIKeySWLLMORXWAYIAC-UHFFFAOYSA-N
XLogP4.03
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide with MolForge

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Related Compounds

4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 77097945
N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 122572204
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
3-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]benzoic acid
CID 141357487
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 154513358
methyl 3-(1,3-benzodioxol-5-yl)benzoate
CID 50888522
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 17458460
3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide
CID 51190200
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 87042710
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 53184935
N-(1,3-benzodioxol-5-ylmethyl)-3-(imidazol-1-ylmethyl)-N-methylbenzamide
CID 122157430

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide (CID 118767035) is 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide is CCCc1cc(CN(C)C(=O)c2cccc(-c3ccc4c(c3)OCO4)c2)[nH]n1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
The InChIKey is SWLLMORXWAYIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-5-18-12-19(24-23-18)13-25(2)22(26)17-7-4-6-15(10-17)16-8-9-20-21(11-16)28-14-27-20/h4,6-12H,3,5,13-14H2,1-2H3,(H,23,24).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 118767035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).