N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide

C15H17N3O3 — CID 6499773

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H17N3O3/c1-10-7-11(2)18(17-10)6-5-16-15(19)12-3-4-13-14(8-12)21-9-20-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,19)
InChIKeyCZLZKEPEIAVGJZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.66
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 6499773) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID6499773
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H17N3O3/c1-10-7-11(2)18(17-10)6-5-16-15(19)12-3-4-13-14(8-12)21-9-20-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,19)
InChIKeyCZLZKEPEIAVGJZ-UHFFFAOYSA-N
XLogP1.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-
CID 686254
N-(1,3-benzodioxol-5-ylmethyl)-5-tert-butyl-2-methylpyrazole-3-carboxamide
CID 2811299
Benzo[1,3]dioxole-5-carboxylic acid [2-(3,5-dimethyl-pyrazol-1-yl)-propyl]-amide
CID 6499837
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
N'-[(1-ethyl-1H-pyrazol-4-yl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 6874720
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 6875071
N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 6875077
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)benzo[d][1,3]dioxole-5-carboxamide
CID 57422267
5-[2-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 146597651
9-[2-(1,3-benzodioxol-5-yl)ethylamino]-3,4,7,8,9,10-hexahydro-2H-pyrazino[1,2-b]indazol-1-one
CID 146641781
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 658857
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 658961

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide (CID 6499773) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide is Cc1cc(C)n(CCNC(=O)c2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is CZLZKEPEIAVGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-7-11(2)18(17-10)6-5-16-15(19)12-3-4-13-14(8-12)21-9-20-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 6499773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).