N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide

C19H17N3O4 — CID 35325421

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccn(COc2ccccc2)n1
InChIInChI=1S/C19H17N3O4/c23-19(20-11-14-6-7-17-18(10-14)26-13-25-17)16-8-9-22(21-16)12-24-15-4-2-1-3-5-15/h1-10H,11-13H2,(H,20,23)
InChIKeyLTBJTPGDURBENF-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.58
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide (PubChem CID 35325421) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
PubChem CID35325421
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccn(COc2ccccc2)n1
InChIInChI=1S/C19H17N3O4/c23-19(20-11-14-6-7-17-18(10-14)26-13-25-17)16-8-9-22(21-16)12-24-15-4-2-1-3-5-15/h1-10H,11-13H2,(H,20,23)
InChIKeyLTBJTPGDURBENF-UHFFFAOYSA-N
XLogP2.58
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325715
N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325897
N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 4776957
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109370555
N-(1,3-benzodioxol-5-ylmethyl)-4-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109211009
N-(1,3-benzodioxol-5-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 35326705
3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(2-phenoxyethyl)urea
CID 27516330
2-N-(1,3-benzodioxol-5-ylmethyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109098063
N-(1,3-benzodioxol-5-ylmethyl)-2-methyltriazole-4-carboxamide
CID 110691382
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689223
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350
N-(1,3-benzodioxol-5-ylmethyl)-3-bromopyridine-2-carboxamide
CID 107518056

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide (CID 35325421) is N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1ccn(COc2ccccc2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The InChIKey is LTBJTPGDURBENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-19(20-11-14-6-7-17-18(10-14)26-13-25-17)16-8-9-22(21-16)12-24-15-4-2-1-3-5-15/h1-10H,11-13H2,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 35325421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).