N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide

C20H19N3O4 — CID 35325897

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1OCn1ccc(C(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C20H19N3O4/c1-14-4-2-3-5-17(14)25-12-23-9-8-16(22-23)20(24)21-11-15-6-7-18-19(10-15)27-13-26-18/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyKIDPYSVYQSSPOB-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.89
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 35325897) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID35325897
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1OCn1ccc(C(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C20H19N3O4/c1-14-4-2-3-5-17(14)25-12-23-9-8-16(22-23)20(24)21-11-15-6-7-18-19(10-15)27-13-26-18/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyKIDPYSVYQSSPOB-UHFFFAOYSA-N
XLogP2.89
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 35325421
N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325715
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 35326826
1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19277357
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26425733
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2352522
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277385
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48650473
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 7841816
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide
CID 132760630
N-(1,3-benzodioxol-5-ylmethyl)-2-methyltriazole-4-carboxamide
CID 110691382
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109370555

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide (CID 35325897) is N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide is Cc1ccccc1OCn1ccc(C(=O)NCc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is KIDPYSVYQSSPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-14-4-2-3-5-17(14)25-12-23-9-8-16(22-23)20(24)21-11-15-6-7-18-19(10-15)27-13-26-18/h2-10H,11-13H2,1H3,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.89, 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-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 35325897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).