N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide

C15H20N4O — CID 95755349

IUPACN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide
SMILESCN(C)Cc1cc(NC(=O)CCc2ccccc2)n[nH]1
InChIInChI=1S/C15H20N4O/c1-19(2)11-13-10-14(18-17-13)16-15(20)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3,(H2,16,17,18,20)
InChIKeyVTZOIUMNFAFMNH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.04
Rot. Bonds6

About N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 95755349) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide
PubChem CID95755349
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide
SMILESCN(C)Cc1cc(NC(=O)CCc2ccccc2)n[nH]1
InChIInChI=1S/C15H20N4O/c1-19(2)11-13-10-14(18-17-13)16-15(20)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3,(H2,16,17,18,20)
InChIKeyVTZOIUMNFAFMNH-UHFFFAOYSA-N
XLogP2.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 95755104
3-(4-ethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215997
3-(4-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 110483845
N-(5-ethyl-1H-pyrazol-3-yl)-3-pyridin-3-ylpropanamide
CID 47423313
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 10969426
3-phenoxy-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621117
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-phenylethylsulfanyl)acetamide
CID 48507728
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 95755192
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 95755102
2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621083
3-(2-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215990
N-[2-[[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 95755294

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide (CID 95755349) is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide is CN(C)Cc1cc(NC(=O)CCc2ccccc2)n[nH]1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is VTZOIUMNFAFMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19(2)11-13-10-14(18-17-13)16-15(20)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3,(H2,16,17,18,20).
What are the key properties of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide?
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 95755349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).