N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide

C21H21N3O3 — CID 2812061

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1-c1ccccc1
InChIInChI=1S/C21H21N3O3/c1-2-6-18-17(14-22-24(18)16-7-4-3-5-8-16)21(25)23-15-9-10-19-20(13-15)27-12-11-26-19/h3-5,7-10,13-14H,2,6,11-12H2,1H3,(H,23,25)
InChIKeyOCBVDPLKKCHBFZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.85
Rot. Bonds5

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 2812061) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID2812061
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1-c1ccccc1
InChIInChI=1S/C21H21N3O3/c1-2-6-18-17(14-22-24(18)16-7-4-3-5-8-16)21(25)23-15-9-10-19-20(13-15)27-12-11-26-19/h3-5,7-10,13-14H,2,6,11-12H2,1H3,(H,23,25)
InChIKeyOCBVDPLKKCHBFZ-UHFFFAOYSA-N
XLogP3.85
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 11837959
1-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide
CID 2815847
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
N-(3-methoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850352
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-(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
Tert-butyl 4-{4-[(2,3-dihydro-1,4-benzodioxin-6-YL)carbamoyl]-1-phenyl-1H-pyrazol-5-YL}piperidine-1-carboxylate
CID 16024196
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855484
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4464934
1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235420
N-(4-ethoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 7947603

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide (CID 2812061) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1-c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is OCBVDPLKKCHBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-6-18-17(14-22-24(18)16-7-4-3-5-8-16)21(25)23-15-9-10-19-20(13-15)27-12-11-26-19/h3-5,7-10,13-14H,2,6,11-12H2,1H3,(H,23,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.85, 5 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-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 2812061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).