1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide

C18H21N3O3 — CID 75514431

IUPAC1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1C1CCCC1
InChIInChI=1S/C18H21N3O3/c1-12-15(11-19-21(12)14-4-2-3-5-14)18(22)20-13-6-7-16-17(10-13)24-9-8-23-16/h6-7,10-11,14H,2-5,8-9H2,1H3,(H,20,22)
InChIKeyJARAUCWVXOWMQG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.33
Rot. Bonds3

About 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide

1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide (PubChem CID 75514431) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide
PubChem CID75514431
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1C1CCCC1
InChIInChI=1S/C18H21N3O3/c1-12-15(11-19-21(12)14-4-2-3-5-14)18(22)20-13-6-7-16-17(10-13)24-9-8-23-16/h6-7,10-11,14H,2-5,8-9H2,1H3,(H,20,22)
InChIKeyJARAUCWVXOWMQG-UHFFFAOYSA-N
XLogP3.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
CID 110863326
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823250
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
CID 55604519
N-(1,3-benzodioxol-5-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136523125
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702324
N-[4-(cyclopentylcarbamoyl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 55992219
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 60599272
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338
N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 166342323
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696238
1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
CID 109048581
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-4-carboxamide
CID 3249821

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide (CID 75514431) is 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide?
The InChIKey is JARAUCWVXOWMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-15(11-19-21(12)14-4-2-3-5-14)18(22)20-13-6-7-16-17(10-13)24-9-8-23-16/h6-7,10-11,14H,2-5,8-9H2,1H3,(H,20,22).
What are the key properties of 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide?
1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 75514431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).