N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide

C12H19F3N4O — CID 75509178

IUPACN-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
SMILESCC(Nc1ccn(CC(F)(F)F)n1)C(=O)N(C)C(C)C
InChIInChI=1S/C12H19F3N4O/c1-8(2)18(4)11(20)9(3)16-10-5-6-19(17-10)7-12(13,14)15/h5-6,8-9H,7H2,1-4H3,(H,16,17)
InChIKeyHPUDITGAXOBMAL-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.11
Rot. Bonds5

About N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide

N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide (PubChem CID 75509178) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
PubChem CID75509178
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC NameN-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
SMILESCC(Nc1ccn(CC(F)(F)F)n1)C(=O)N(C)C(C)C
InChIInChI=1S/C12H19F3N4O/c1-8(2)18(4)11(20)9(3)16-10-5-6-19(17-10)7-12(13,14)15/h5-6,8-9H,7H2,1-4H3,(H,16,17)
InChIKeyHPUDITGAXOBMAL-UHFFFAOYSA-N
XLogP2.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
The IUPAC name of N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide (CID 75509178) is N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
The canonical SMILES for N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide is CC(Nc1ccn(CC(F)(F)F)n1)C(=O)N(C)C(C)C.
What is the InChIKey of N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
The InChIKey is HPUDITGAXOBMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-8(2)18(4)11(20)9(3)16-10-5-6-19(17-10)7-12(13,14)15/h5-6,8-9H,7H2,1-4H3,(H,16,17).
What are the key properties of N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide has a molecular weight of 292.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide is sourced from PubChem (CID 75509178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).