2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride

C22H27ClN4O — CID 120589459

IUPAC2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-22(23,18-12-7-4-8-13-18)21(27)26(2)15-9-14-19-16-20(25-24-19)17-10-5-3-6-11-17;/h3-8,10-13,16H,9,14-15,23H2,1-2H3,(H,24,25);1H
InChIKeyVZDATOGNIDLTCR-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.76
Rot. Bonds7

About 2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride

2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride (PubChem CID 120589459) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride
PubChem CID120589459
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC Name2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-22(23,18-12-7-4-8-13-18)21(27)26(2)15-9-14-19-16-20(25-24-19)17-10-5-3-6-11-17;/h3-8,10-13,16H,9,14-15,23H2,1-2H3,(H,24,25);1H
InChIKeyVZDATOGNIDLTCR-UHFFFAOYSA-N
XLogP3.76
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
(2S)-2-amino-N,3,3-trimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanamide;hydrochloride
CID 119736665
2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55970403
2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide
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3-bromo-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 55969519
N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55814944
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086
2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589650
2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 120590580
N-methyl-2-(4-nitrophenyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55813861
N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide
CID 55813894
N'-(2-cyanoethyl)-N-methyl-N'-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanediamide
CID 56577930

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride (CID 120589459) is 2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C(C)(N)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride?
The InChIKey is VZDATOGNIDLTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O.ClH/c1-22(23,18-12-7-4-8-13-18)21(27)26(2)15-9-14-19-16-20(25-24-19)17-10-5-3-6-11-17;/h3-8,10-13,16H,9,14-15,23H2,1-2H3,(H,24,25);1H.
What are the key properties of 2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride?
2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120589459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).