(2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

C16H19FN4O2 — CID 95335128

IUPAC(2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](C(=O)N(C)CC(=O)N(C)c1ccccc1F)n1cccn1
InChIInChI=1S/C16H19FN4O2/c1-12(21-10-6-9-18-21)16(23)19(2)11-15(22)20(3)14-8-5-4-7-13(14)17/h4-10,12H,11H2,1-3H3/t12-/m0/s1
InChIKeyMIAZIIAELLFKQM-LBPRGKRZSA-N
MW318.35 g/mol
LogP1.70
Rot. Bonds5

About (2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

(2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (PubChem CID 95335128) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is (2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
PubChem CID95335128
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name(2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](C(=O)N(C)CC(=O)N(C)c1ccccc1F)n1cccn1
InChIInChI=1S/C16H19FN4O2/c1-12(21-10-6-9-18-21)16(23)19(2)11-15(22)20(3)14-8-5-4-7-13(14)17/h4-10,12H,11H2,1-3H3/t12-/m0/s1
InChIKeyMIAZIIAELLFKQM-LBPRGKRZSA-N
XLogP1.70
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (CID 95335128) is (2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is C[C@@H](C(=O)N(C)CC(=O)N(C)c1ccccc1F)n1cccn1.
What is the InChIKey of (2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The InChIKey is MIAZIIAELLFKQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-12(21-10-6-9-18-21)16(23)19(2)11-15(22)20(3)14-8-5-4-7-13(14)17/h4-10,12H,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
(2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide has a molecular weight of 318.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-fluoro-N-methylanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 95335128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).