2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide

C15H20N4O — CID 60663784

IUPAC2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H20N4O/c1-2-8-17-14(20)11-16-9-13-10-18-19-15(13)12-6-4-3-5-7-12/h3-7,10,16H,2,8-9,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyHNEUCQGQCHCOPQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.69
Rot. Bonds7

About 2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide

2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide (PubChem CID 60663784) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide
PubChem CID60663784
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H20N4O/c1-2-8-17-14(20)11-16-9-13-10-18-19-15(13)12-6-4-3-5-7-12/h3-7,10,16H,2,8-9,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyHNEUCQGQCHCOPQ-UHFFFAOYSA-N
XLogP1.69
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 60664694
2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 103643047
ethyl 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 64578922
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115616849
N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide
CID 103824423
N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide
CID 86854953
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 4538755
2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide
CID 78942753
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 167887384
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
3-methylsulfinyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115711581

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide (CID 60663784) is 2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide is CCCNC(=O)CNCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide?
The InChIKey is HNEUCQGQCHCOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-8-17-14(20)11-16-9-13-10-18-19-15(13)12-6-4-3-5-7-12/h3-7,10,16H,2,8-9,11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide?
2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide has a molecular weight of 272.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide is sourced from PubChem (CID 60663784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).