3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide

C15H20N4O — CID 60755620

IUPAC3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCN(C)c1ccc(CCC(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C15H20N4O/c1-19(2)14-6-3-12(4-7-14)5-8-15(20)16-9-13-10-17-18-11-13/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyAWHGYCGZPKFZEY-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.72
Rot. Bonds6

About 3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide

3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 60755620) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID60755620
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCN(C)c1ccc(CCC(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C15H20N4O/c1-19(2)14-6-3-12(4-7-14)5-8-15(20)16-9-13-10-17-18-11-13/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyAWHGYCGZPKFZEY-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787483
4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60769926
N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 27888266
N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
CID 78981080
N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 60717379
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
4-[[4-(dimethylamino)phenyl]methylamino]-4-oxobutanoic acid
CID 54867572
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131905145
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125446001
N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 17478687
2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60736185

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 60755620) is 3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide is CN(C)c1ccc(CCC(=O)NCc2cn[nH]c2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is AWHGYCGZPKFZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19(2)14-6-3-12(4-7-14)5-8-15(20)16-9-13-10-17-18-11-13/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide?
3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 60755620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).