(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide

C13H24N4O — CID 91838299

IUPAC(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide
SMILESCCc1c(C)nn(CCNC(=O)[C@H](C)NC)c1C
InChIInChI=1S/C13H24N4O/c1-6-12-9(2)16-17(11(12)4)8-7-15-13(18)10(3)14-5/h10,14H,6-8H2,1-5H3,(H,15,18)/t10-/m0/s1
InChIKeyFISZHUQWFWKSAO-JTQLQIEISA-N
MW252.36 g/mol
LogP0.79
Rot. Bonds6

About (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide

(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide (PubChem CID 91838299) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide
PubChem CID91838299
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide
SMILESCCc1c(C)nn(CCNC(=O)[C@H](C)NC)c1C
InChIInChI=1S/C13H24N4O/c1-6-12-9(2)16-17(11(12)4)8-7-15-13(18)10(3)14-5/h10,14H,6-8H2,1-5H3,(H,15,18)/t10-/m0/s1
InChIKeyFISZHUQWFWKSAO-JTQLQIEISA-N
XLogP0.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide (CID 91838299) is (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide is CCc1c(C)nn(CCNC(=O)[C@H](C)NC)c1C.
What is the InChIKey of (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide?
The InChIKey is FISZHUQWFWKSAO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-12-9(2)16-17(11(12)4)8-7-15-13(18)10(3)14-5/h10,14H,6-8H2,1-5H3,(H,15,18)/t10-/m0/s1.
What are the key properties of (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide?
(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide has a molecular weight of 252.36 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 91838299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).