(2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide

C12H20F2N4O — CID 99822985

IUPAC(2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@H](C)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C12H20F2N4O/c1-8(2)17(4)12(19)9(3)16-10-5-15-18(6-10)7-11(13)14/h5-6,8-9,11,16H,7H2,1-4H3/t9-/m0/s1
InChIKeyWJMYDMIOOUWTPH-VIFPVBQESA-N
MW274.32 g/mol
LogP1.82
Rot. Bonds6

About (2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide

(2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide (PubChem CID 99822985) has the molecular formula C12H20F2N4O and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide
PubChem CID99822985
Molecular FormulaC12H20F2N4O
Molecular Weight274.32 g/mol
Exact Mass274.16
IUPAC Name(2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@H](C)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C12H20F2N4O/c1-8(2)17(4)12(19)9(3)16-10-5-15-18(6-10)7-11(13)14/h5-6,8-9,11,16H,7H2,1-4H3/t9-/m0/s1
InChIKeyWJMYDMIOOUWTPH-VIFPVBQESA-N
XLogP1.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide (CID 99822985) is (2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide is CC(C)N(C)C(=O)[C@H](C)Nc1cnn(CC(F)F)c1.
What is the InChIKey of (2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide?
The InChIKey is WJMYDMIOOUWTPH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20F2N4O/c1-8(2)17(4)12(19)9(3)16-10-5-15-18(6-10)7-11(13)14/h5-6,8-9,11,16H,7H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide?
(2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide has a molecular weight of 274.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 99822985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).