N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide

C16H19N3O3 — CID 24792833

IUPACN-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n(C(C)CC(=O)Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H19N3O3/c1-10-6-11(2)19(18-10)12(3)7-16(20)17-13-4-5-14-15(8-13)22-9-21-14/h4-6,8,12H,7,9H2,1-3H3,(H,17,20)
InChIKeyWHNGLWNRNPRYSO-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.82
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide

N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 24792833) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID24792833
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n(C(C)CC(=O)Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H19N3O3/c1-10-6-11(2)19(18-10)12(3)7-16(20)17-13-4-5-14-15(8-13)22-9-21-14/h4-6,8,12H,7,9H2,1-3H3,(H,17,20)
InChIKeyWHNGLWNRNPRYSO-UHFFFAOYSA-N
XLogP2.82
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Benzo[1,3]dioxol-5-yl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 648823
N-1,3-benzodioxol-5-yl-N'-[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]urea
CID 2955517
N-1,3-benzodioxol-5-yl-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 16193421
N-1,3-benzodioxol-5-yl-N'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 16193459
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 19553861
N-(1,3-benzodioxol-5-yl)-3-pyrazol-1-ylpropanamide
CID 24790928
N-(1,3-benzodioxol-5-yl)-3-(1-ethyl-5-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3237410
N-1,3-benzodioxol-5-yl-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide
CID 3239882
N-(1,3-benzodioxol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 711707
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 5301172
1-(1,3-Benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea
CID 970527
3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 3245018

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide (CID 24792833) is N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide is Cc1cc(C)n(C(C)CC(=O)Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is WHNGLWNRNPRYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-6-11(2)19(18-10)12(3)7-16(20)17-13-4-5-14-15(8-13)22-9-21-14/h4-6,8,12H,7,9H2,1-3H3,(H,17,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide has a molecular weight of 301.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 24792833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).