2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone

C15H20F2N4O2 — CID 139022065

IUPAC2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone
SMILESO=C(Cn1nc(C(F)F)cc1C1CC1)N1CCOC2(CNC2)C1
InChIInChI=1S/C15H20F2N4O2/c16-14(17)11-5-12(10-1-2-10)21(19-11)6-13(22)20-3-4-23-15(9-20)7-18-8-15/h5,10,14,18H,1-4,6-9H2
InChIKeyDRINBBSYIXCBGC-UHFFFAOYSA-N
MW326.35 g/mol
LogP0.90
Rot. Bonds4

About 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone (PubChem CID 139022065) has the molecular formula C15H20F2N4O2 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone
PubChem CID139022065
Molecular FormulaC15H20F2N4O2
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone
SMILESO=C(Cn1nc(C(F)F)cc1C1CC1)N1CCOC2(CNC2)C1
InChIInChI=1S/C15H20F2N4O2/c16-14(17)11-5-12(10-1-2-10)21(19-11)6-13(22)20-3-4-23-15(9-20)7-18-8-15/h5,10,14,18H,1-4,6-9H2
InChIKeyDRINBBSYIXCBGC-UHFFFAOYSA-N
XLogP0.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 19520265
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]ethanone
CID 19527603
N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19520381
4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one
CID 97399284
N-[4-[1-[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
CID 175869894
2-(benzotriazol-2-yl)-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95722302
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 19520254
2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 42285783
5-oxa-2,8-diazaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanone
CID 131651947
1-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-(3-piperidin-3-ylpyrazol-1-yl)ethanone
CID 119067951
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 164695123
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19520264

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone?
The IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone (CID 139022065) is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone.
What is the SMILES notation for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone?
The canonical SMILES for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone is O=C(Cn1nc(C(F)F)cc1C1CC1)N1CCOC2(CNC2)C1.
What is the InChIKey of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone?
The InChIKey is DRINBBSYIXCBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O2/c16-14(17)11-5-12(10-1-2-10)21(19-11)6-13(22)20-3-4-23-15(9-20)7-18-8-15/h5,10,14,18H,1-4,6-9H2.
What are the key properties of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone?
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone has a molecular weight of 326.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)ethanone is sourced from PubChem (CID 139022065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).