N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide

C11H15F2N3O2 — CID 166160443

IUPACN-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)C1CCC(C)O1
InChIInChI=1S/C11H15F2N3O2/c1-6-3-4-9(18-6)10(17)14-8-5-16(11(12)13)15-7(8)2/h5-6,9,11H,3-4H2,1-2H3,(H,14,17)
InChIKeyJUWFADURGJFVFU-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.09
Rot. Bonds3

About N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide

N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide (PubChem CID 166160443) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide
PubChem CID166160443
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC NameN-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)C1CCC(C)O1
InChIInChI=1S/C11H15F2N3O2/c1-6-3-4-9(18-6)10(17)14-8-5-16(11(12)13)15-7(8)2/h5-6,9,11H,3-4H2,1-2H3,(H,14,17)
InChIKeyJUWFADURGJFVFU-UHFFFAOYSA-N
XLogP2.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide (CID 166160443) is N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide is Cc1nn(C(F)F)cc1NC(=O)C1CCC(C)O1.
What is the InChIKey of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide?
The InChIKey is JUWFADURGJFVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c1-6-3-4-9(18-6)10(17)14-8-5-16(11(12)13)15-7(8)2/h5-6,9,11H,3-4H2,1-2H3,(H,14,17).
What are the key properties of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide?
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 166160443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).