(2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide

C10H14F3N3O — CID 99776422

IUPAC(2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide
SMILESCC[C@H](C)C(=O)Nc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-4-6(2)9(17)14-7-5-16(3)15-8(7)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,17)/t6-/m0/s1
InChIKeyBASXXWIRFQAPST-LURJTMIESA-N
MW249.24 g/mol
LogP2.42
Rot. Bonds3

About (2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide

(2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide (PubChem CID 99776422) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is (2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide
PubChem CID99776422
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name(2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide
SMILESCC[C@H](C)C(=O)Nc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-4-6(2)9(17)14-7-5-16(3)15-8(7)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,17)/t6-/m0/s1
InChIKeyBASXXWIRFQAPST-LURJTMIESA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide?
The IUPAC name of (2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide (CID 99776422) is (2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for (2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for (2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide is CC[C@H](C)C(=O)Nc1cn(C)nc1C(F)(F)F.
What is the InChIKey of (2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide?
The InChIKey is BASXXWIRFQAPST-LURJTMIESA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-4-6(2)9(17)14-7-5-16(3)15-8(7)10(11,12)13/h5-6H,4H2,1-3H3,(H,14,17)/t6-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide?
(2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide has a molecular weight of 249.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 99776422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).