2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide

C11H17F2N3O — CID 51390284

IUPAC2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide
SMILESC[C@H](NC(=O)c1ccnn1C(F)F)C(C)(C)C
InChIInChI=1S/C11H17F2N3O/c1-7(11(2,3)4)15-9(17)8-5-6-14-16(8)10(12)13/h5-7,10H,1-4H3,(H,15,17)/t7-/m0/s1
InChIKeyOPTCZTYKLROXHD-ZETCQYMHSA-N
MW245.27 g/mol
LogP2.44
Rot. Bonds3

About 2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide

2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide (PubChem CID 51390284) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide
PubChem CID51390284
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide
SMILESC[C@H](NC(=O)c1ccnn1C(F)F)C(C)(C)C
InChIInChI=1S/C11H17F2N3O/c1-7(11(2,3)4)15-9(17)8-5-6-14-16(8)10(12)13/h5-7,10H,1-4H3,(H,15,17)/t7-/m0/s1
InChIKeyOPTCZTYKLROXHD-ZETCQYMHSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide (CID 51390284) is 2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide is C[C@H](NC(=O)c1ccnn1C(F)F)C(C)(C)C.
What is the InChIKey of 2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide?
The InChIKey is OPTCZTYKLROXHD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-7(11(2,3)4)15-9(17)8-5-6-14-16(8)10(12)13/h5-7,10H,1-4H3,(H,15,17)/t7-/m0/s1.
What are the key properties of 2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide has a molecular weight of 245.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 51390284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).