2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide

C13H24N4O2 — CID 120991191

IUPAC2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide
SMILESCCC(NC(=O)C(N)COC)c1c(C)nn(C)c1C
InChIInChI=1S/C13H24N4O2/c1-6-11(15-13(18)10(14)7-19-5)12-8(2)16-17(4)9(12)3/h10-11H,6-7,14H2,1-5H3,(H,15,18)
InChIKeyDKFJUMIORUXXEH-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.58
Rot. Bonds6

About 2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide

2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide (PubChem CID 120991191) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide
PubChem CID120991191
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide
SMILESCCC(NC(=O)C(N)COC)c1c(C)nn(C)c1C
InChIInChI=1S/C13H24N4O2/c1-6-11(15-13(18)10(14)7-19-5)12-8(2)16-17(4)9(12)3/h10-11H,6-7,14H2,1-5H3,(H,15,18)
InChIKeyDKFJUMIORUXXEH-UHFFFAOYSA-N
XLogP0.58
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
CID 86789477
2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 95898801
(2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120795461
2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide
CID 81083078
N-(2-bromoprop-2-enyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 115717343
3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 75386997
2-amino-5-nitro-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 99790565
N-(5-methyl-1,3-thiazol-2-yl)-N'-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxamide
CID 99604213
1-(2-hydroxy-2,5-dimethylhexyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 111508899
3-(3-hydroxy-4-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide
CID 127265718
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide
CID 99855977
2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120989904

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide (CID 120991191) is 2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide is CCC(NC(=O)C(N)COC)c1c(C)nn(C)c1C.
What is the InChIKey of 2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide?
The InChIKey is DKFJUMIORUXXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-6-11(15-13(18)10(14)7-19-5)12-8(2)16-17(4)9(12)3/h10-11H,6-7,14H2,1-5H3,(H,15,18).
What are the key properties of 2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide?
2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide has a molecular weight of 268.36 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 120991191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).