N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide

C13H13N3O3 — CID 11837959

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H13N3O3/c1-16-5-4-10(15-16)13(17)14-9-2-3-11-12(8-9)19-7-6-18-11/h2-5,8H,6-7H2,1H3,(H,14,17)
InChIKeyZECFPGIWQUBGSO-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.44
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 11837959) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide
PubChem CID11837959
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H13N3O3/c1-16-5-4-10(15-16)13(17)14-9-2-3-11-12(8-9)19-7-6-18-11/h2-5,8H,6-7H2,1H3,(H,14,17)
InChIKeyZECFPGIWQUBGSO-UHFFFAOYSA-N
XLogP1.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 5296270
1-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide
CID 2815847
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-pyrazolecarboxamide
CID 5301257
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridinylcarbonyl)hydrazono]butanamide
CID 9592021
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 19553861
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide
CID 24790929
4-bromo-N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 708257
1H-Pyrazole-5-carboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-
CID 832016
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 841484
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
4-Chloro-N-(3,4-dimethoxyphenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 1511740
3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid
CID 3361479

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide (CID 11837959) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is ZECFPGIWQUBGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-16-5-4-10(15-16)13(17)14-9-2-3-11-12(8-9)19-7-6-18-11/h2-5,8H,6-7H2,1H3,(H,14,17).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 11837959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).