N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide

C17H24N4O — CID 125446316

IUPACN-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)N[C@H](CCN(C)C)c2ccccc2)n1
InChIInChI=1S/C17H24N4O/c1-14-9-12-21(19-14)13-17(22)18-16(10-11-20(2)3)15-7-5-4-6-8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,18,22)/t16-/m1/s1
InChIKeyJTWNKRITASYUEU-MRXNPFEDSA-N
MW300.41 g/mol
LogP2.00
Rot. Bonds7

About N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide

N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 125446316) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID125446316
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)N[C@H](CCN(C)C)c2ccccc2)n1
InChIInChI=1S/C17H24N4O/c1-14-9-12-21(19-14)13-17(22)18-16(10-11-20(2)3)15-7-5-4-6-8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,18,22)/t16-/m1/s1
InChIKeyJTWNKRITASYUEU-MRXNPFEDSA-N
XLogP2.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide
CID 125160556
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19516870
1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid
CID 29089973
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110278380
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-phenylacetamide;hydrochloride
CID 15983561
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide
CID 126437941
N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 118796171
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide
CID 125173754
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278378
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111475375
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852
N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
CID 70742212

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide (CID 125446316) is N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)N[C@H](CCN(C)C)c2ccccc2)n1.
What is the InChIKey of N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is JTWNKRITASYUEU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14-9-12-21(19-14)13-17(22)18-16(10-11-20(2)3)15-7-5-4-6-8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,18,22)/t16-/m1/s1.
What are the key properties of N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 300.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 125446316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).