N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide

C12H20F2N4O — CID 86791911

IUPACN-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide
SMILESCC(Nc1cnn(CC(F)F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H20F2N4O/c1-8(11(19)17-12(2,3)4)16-9-5-15-18(6-9)7-10(13)14/h5-6,8,10,16H,7H2,1-4H3,(H,17,19)
InChIKeyBXNRVGQCJDSXCY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.86
Rot. Bonds5

About N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide

N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide (PubChem CID 86791911) has the molecular formula C12H20F2N4O and a molecular weight of 274.32 g/mol. Its IUPAC name is N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide
PubChem CID86791911
Molecular FormulaC12H20F2N4O
Molecular Weight274.32 g/mol
Exact Mass274.16
IUPAC NameN-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide
SMILESCC(Nc1cnn(CC(F)F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H20F2N4O/c1-8(11(19)17-12(2,3)4)16-9-5-15-18(6-9)7-10(13)14/h5-6,8,10,16H,7H2,1-4H3,(H,17,19)
InChIKeyBXNRVGQCJDSXCY-UHFFFAOYSA-N
XLogP1.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide (CID 86791911) is N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide is CC(Nc1cnn(CC(F)F)c1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide?
The InChIKey is BXNRVGQCJDSXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4O/c1-8(11(19)17-12(2,3)4)16-9-5-15-18(6-9)7-10(13)14/h5-6,8,10,16H,7H2,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide?
N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide is sourced from PubChem (CID 86791911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).