2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride

C15H21ClN4O — CID 120589098

IUPAC2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCl.Cn1cc(CCNC(=O)C(C)(N)c2ccccc2)cn1
InChIInChI=1S/C15H20N4O.ClH/c1-15(16,13-6-4-3-5-7-13)14(20)17-9-8-12-10-18-19(2)11-12;/h3-7,10-11H,8-9,16H2,1-2H3,(H,17,20);1H
InChIKeyRNBOCOWPUBRZPW-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.37
Rot. Bonds5

About 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120589098) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
PubChem CID120589098
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
SMILESCl.Cn1cc(CCNC(=O)C(C)(N)c2ccccc2)cn1
InChIInChI=1S/C15H20N4O.ClH/c1-15(16,13-6-4-3-5-7-13)14(20)17-9-8-12-10-18-19(2)11-12;/h3-7,10-11H,8-9,16H2,1-2H3,(H,17,20);1H
InChIKeyRNBOCOWPUBRZPW-UHFFFAOYSA-N
XLogP1.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590847
2-(2-hydroxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 78990918
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 47352395
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide
CID 80682163
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride
CID 120593007
N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
CID 119547581
2-(aminomethyl)-4-(1-methylpyrazol-4-yl)-2-phenylbutanoic acid
CID 106489399
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride (CID 120589098) is 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride is Cl.Cn1cc(CCNC(=O)C(C)(N)c2ccccc2)cn1.
What is the InChIKey of 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is RNBOCOWPUBRZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-15(16,13-6-4-3-5-7-13)14(20)17-9-8-12-10-18-19(2)11-12;/h3-7,10-11H,8-9,16H2,1-2H3,(H,17,20);1H.
What are the key properties of 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120589098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).