(4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide

C12H17F2N3O2 — CID 166160302

IUPAC(4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)C1C[C@H](C)C(C)O1
InChIInChI=1S/C12H17F2N3O2/c1-6-4-10(19-8(6)3)11(18)15-9-5-17(12(13)14)16-7(9)2/h5-6,8,10,12H,4H2,1-3H3,(H,15,18)/t6-,8?,10?/m0/s1
InChIKeyPHFLOAFMKMUIHP-OHBIBWSRSA-N
MW273.28 g/mol
LogP2.34
Rot. Bonds3

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

(4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide (PubChem CID 166160302) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is (4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
PubChem CID166160302
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name(4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)C1C[C@H](C)C(C)O1
InChIInChI=1S/C12H17F2N3O2/c1-6-4-10(19-8(6)3)11(18)15-9-5-17(12(13)14)16-7(9)2/h5-6,8,10,12H,4H2,1-3H3,(H,15,18)/t6-,8?,10?/m0/s1
InChIKeyPHFLOAFMKMUIHP-OHBIBWSRSA-N
XLogP2.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide?
The IUPAC name of (4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide (CID 166160302) is (4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for (4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for (4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide is Cc1nn(C(F)F)cc1NC(=O)C1C[C@H](C)C(C)O1.
What is the InChIKey of (4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide?
The InChIKey is PHFLOAFMKMUIHP-OHBIBWSRSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-6-4-10(19-8(6)3)11(18)15-9-5-17(12(13)14)16-7(9)2/h5-6,8,10,12H,4H2,1-3H3,(H,15,18)/t6-,8?,10?/m0/s1.
What are the key properties of (4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide?
(4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide has a molecular weight of 273.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 166160302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).