2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride

C13H25ClN4O2 — CID 120993456

IUPAC2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride
SMILESCCc1nn(C)c(CC)c1CNC(=O)C(N)COC.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-5-11-9(12(6-2)17(3)16-11)7-15-13(18)10(14)8-19-4;/h10H,5-8,14H2,1-4H3,(H,15,18);1H
InChIKeyIFSLDYLJZWXVKI-UHFFFAOYSA-N
MW304.82 g/mol
LogP0.56
Rot. Bonds7

About 2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120993456) has the molecular formula C13H25ClN4O2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120993456
Molecular FormulaC13H25ClN4O2
Molecular Weight304.82 g/mol
Exact Mass304.17
IUPAC Name2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride
SMILESCCc1nn(C)c(CC)c1CNC(=O)C(N)COC.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-5-11-9(12(6-2)17(3)16-11)7-15-13(18)10(14)8-19-4;/h10H,5-8,14H2,1-4H3,(H,15,18);1H
InChIKeyIFSLDYLJZWXVKI-UHFFFAOYSA-N
XLogP0.56
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
CID 97058997
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methoxypropanamide
CID 107463127
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-3-methoxypropanamide
CID 82738332
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride
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2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
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N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-4-naphthalen-1-yloxybutanamide
CID 138993702
(2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 120640177
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 109403328
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 109402597
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[1-(3-methoxypropyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 109405582

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride (CID 120993456) is 2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride is CCc1nn(C)c(CC)c1CNC(=O)C(N)COC.Cl.
What is the InChIKey of 2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is IFSLDYLJZWXVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2.ClH/c1-5-11-9(12(6-2)17(3)16-11)7-15-13(18)10(14)8-19-4;/h10H,5-8,14H2,1-4H3,(H,15,18);1H.
What are the key properties of 2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120993456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).