2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone

C15H16N4O3 — CID 3866208

IUPAC2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone
SMILESCC1(C(=O)N2CCCN2C(=O)c2ccc3nonc3c2)CC1
InChIInChI=1S/C15H16N4O3/c1-15(5-6-15)14(21)19-8-2-7-18(19)13(20)10-3-4-11-12(9-10)17-22-16-11/h3-4,9H,2,5-8H2,1H3
InChIKeyUFIYGAFKBQLWTI-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.61
Rot. Bonds2

About 2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone

2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone (PubChem CID 3866208) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone.

Molecular Properties

Compound Name2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone
PubChem CID3866208
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone
SMILESCC1(C(=O)N2CCCN2C(=O)c2ccc3nonc3c2)CC1
InChIInChI=1S/C15H16N4O3/c1-15(5-6-15)14(21)19-8-2-7-18(19)13(20)10-3-4-11-12(9-10)17-22-16-11/h3-4,9H,2,5-8H2,1H3
InChIKeyUFIYGAFKBQLWTI-UHFFFAOYSA-N
XLogP1.61
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate
CID 3839680
N-[3-[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidine-1-carbonyl]-4-nitrophenyl]acetamide
CID 3691832
1-[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 3400878
[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70755584
(2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone
CID 3727600
2,1,3-benzoxadiazole-5-carboxamide
CID 22335030
3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 3364678
N-(4-hydroxy-4-methylcyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25103069
2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97147736
2,1,3-benzoxadiazol-5-yl-[4-[3-(dimethylamino)propoxy]piperidin-1-yl]methanone
CID 122134713
N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25103066
2,1,3-benzoxadiazole-5-carbohydrazide
CID 2735455

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone?
The IUPAC name of 2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone (CID 3866208) is 2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone.
What is the SMILES notation for 2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone?
The canonical SMILES for 2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone is CC1(C(=O)N2CCCN2C(=O)c2ccc3nonc3c2)CC1.
What is the InChIKey of 2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone?
The InChIKey is UFIYGAFKBQLWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-15(5-6-15)14(21)19-8-2-7-18(19)13(20)10-3-4-11-12(9-10)17-22-16-11/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone?
2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone has a molecular weight of 300.32 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone is sourced from PubChem (CID 3866208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).