2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride

C16H23ClN4O2 — CID 120993484

IUPAC2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)c1cnn(Cc2ccccc2)c1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-12(19-16(21)15(17)11-22-2)14-8-18-20(10-14)9-13-6-4-3-5-7-13;/h3-8,10,12,15H,9,11,17H2,1-2H3,(H,19,21);1H
InChIKeyGIOKWKCJPWHYDK-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.50
Rot. Bonds7

About 2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120993484) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
PubChem CID120993484
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)c1cnn(Cc2ccccc2)c1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-12(19-16(21)15(17)11-22-2)14-8-18-20(10-14)9-13-6-4-3-5-7-13;/h3-8,10,12,15H,9,11,17H2,1-2H3,(H,19,21);1H
InChIKeyGIOKWKCJPWHYDK-UHFFFAOYSA-N
XLogP1.50
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
CID 81083334
N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide
CID 75390241
2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide
CID 81083669
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97244198
2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride
CID 120986679
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
N-[1-(1-benzylpyrazol-4-yl)ethyl]-5-methoxypyrazolo[1,5-a]pyridine-3-carboxamide
CID 166192226
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 75390022
ethyl 2-amino-3-(1-benzylpyrazol-4-yl)propanoate;dihydrochloride
CID 132585364
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-benzylpyrazole-4-carboxylate
CID 46658882

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride (CID 120993484) is 2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NC(C)c1cnn(Cc2ccccc2)c1.Cl.
What is the InChIKey of 2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is GIOKWKCJPWHYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-12(19-16(21)15(17)11-22-2)14-8-18-20(10-14)9-13-6-4-3-5-7-13;/h3-8,10,12,15H,9,11,17H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120993484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).