N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide

C15H17N3O3 — CID 2738492

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2COc3ccccc3O2)nn1C
InChIInChI=1S/C15H17N3O3/c1-10-7-12(17-18(10)2)15(19)16-8-11-9-20-13-5-3-4-6-14(13)21-11/h3-7,11H,8-9H2,1-2H3,(H,16,19)
InChIKeyGJZWQIVQRGJVMQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.30
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 2738492) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID2738492
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2COc3ccccc3O2)nn1C
InChIInChI=1S/C15H17N3O3/c1-10-7-12(17-18(10)2)15(19)16-8-11-9-20-13-5-3-4-6-14(13)21-11/h3-7,11H,8-9H2,1-2H3,(H,16,19)
InChIKeyGJZWQIVQRGJVMQ-UHFFFAOYSA-N
XLogP1.30
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide (CID 2738492) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2COc3ccccc3O2)nn1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is GJZWQIVQRGJVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-7-12(17-18(10)2)15(19)16-8-11-9-20-13-5-3-4-6-14(13)21-11/h3-7,11H,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.30, 3 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-3-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 2738492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).