N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide

C13H19F2N3O2 — CID 167962193

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide
SMILESCn1cc(NC(=O)C2CCC(C)(C)OC2)c(C(F)F)n1
InChIInChI=1S/C13H19F2N3O2/c1-13(2)5-4-8(7-20-13)12(19)16-9-6-18(3)17-10(9)11(14)15/h6,8,11H,4-5,7H2,1-3H3,(H,16,19)
InChIKeyUACRFODHDVYQEF-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.50
Rot. Bonds3

About N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide (PubChem CID 167962193) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide
PubChem CID167962193
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide
SMILESCn1cc(NC(=O)C2CCC(C)(C)OC2)c(C(F)F)n1
InChIInChI=1S/C13H19F2N3O2/c1-13(2)5-4-8(7-20-13)12(19)16-9-6-18(3)17-10(9)11(14)15/h6,8,11H,4-5,7H2,1-3H3,(H,16,19)
InChIKeyUACRFODHDVYQEF-UHFFFAOYSA-N
XLogP2.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 167805385
2-[[(1R,2S)-2-amino-5,5-difluorocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 122196168
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
CID 167786912
1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-[2-(thian-4-yloxy)ethyl]urea
CID 146103717
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 104592707
N-(4-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 168874155
2-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrrolo[1,2-b]pyridazine-7-carboxamide
CID 122196066
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 167893790
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
CID 146101874
(10,10-dimethyl-1-tricyclo[5.2.1.02,6]deca-2,5-dienyl) 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate
CID 163480609
N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 147266616
cis-(1S,3R)-3-[[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066690

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide (CID 167962193) is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide is Cn1cc(NC(=O)C2CCC(C)(C)OC2)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide?
The InChIKey is UACRFODHDVYQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c1-13(2)5-4-8(7-20-13)12(19)16-9-6-18(3)17-10(9)11(14)15/h6,8,11H,4-5,7H2,1-3H3,(H,16,19).
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide?
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide is sourced from PubChem (CID 167962193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).