5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide

C15H21F2N3O4 — CID 136565901

IUPAC5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCC3(CCOCC3)O2)cc1OC(F)F
InChIInChI=1S/C15H21F2N3O4/c1-20-12(23-14(16)17)8-11(19-20)13(21)18-9-10-2-3-15(24-10)4-6-22-7-5-15/h8,10,14H,2-7,9H2,1H3,(H,18,21)
InChIKeyWMSUJLATDBYGHX-UHFFFAOYSA-N
MW345.35 g/mol
LogP1.48
Rot. Bonds5

About 5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide

5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 136565901) has the molecular formula C15H21F2N3O4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
PubChem CID136565901
Molecular FormulaC15H21F2N3O4
Molecular Weight345.35 g/mol
Exact Mass345.15
IUPAC Name5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCC3(CCOCC3)O2)cc1OC(F)F
InChIInChI=1S/C15H21F2N3O4/c1-20-12(23-14(16)17)8-11(19-20)13(21)18-9-10-2-3-15(24-10)4-6-22-7-5-15/h8,10,14H,2-7,9H2,1H3,(H,18,21)
InChIKeyWMSUJLATDBYGHX-UHFFFAOYSA-N
XLogP1.48
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 97042258
N-[1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 132300199
N-[(1R)-1-cyclohexyl-2,2-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 164632353
N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide
CID 121523355
N-[(2,2-difluorocyclopentyl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 128594897
N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide
CID 129399864
N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-5-(difluoromethoxy)-1-methylpyrazole-3-carboxamide
CID 129399865
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 132295493
N-(1-cyclopentyl-2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 132298635
N-(1-cyclohexyl-2,2-difluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 132300654
5-(difluoromethoxy)-N-[3-(2-hydroxyethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide
CID 132307956
5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 136531889

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide (CID 136565901) is 5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NCC2CCC3(CCOCC3)O2)cc1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is WMSUJLATDBYGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O4/c1-20-12(23-14(16)17)8-11(19-20)13(21)18-9-10-2-3-15(24-10)4-6-22-7-5-15/h8,10,14H,2-7,9H2,1H3,(H,18,21).
What are the key properties of 5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide?
5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-N-(1,8-dioxaspiro[4.5]decan-2-ylmethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136565901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).