2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide

C16H22N4O — CID 47053553

IUPAC2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H22N4O/c1-4-19(13-16(21)18(2)3)12-14-6-8-15(9-7-14)20-11-5-10-17-20/h5-11H,4,12-13H2,1-3H3
InChIKeySHEVWWJRTWXDHG-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.78
Rot. Bonds6

About 2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide

2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide (PubChem CID 47053553) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide
PubChem CID47053553
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H22N4O/c1-4-19(13-16(21)18(2)3)12-14-6-8-15(9-7-14)20-11-5-10-17-20/h5-11H,4,12-13H2,1-3H3
InChIKeySHEVWWJRTWXDHG-UHFFFAOYSA-N
XLogP1.78
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide (CID 47053553) is 2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide?
The InChIKey is SHEVWWJRTWXDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-19(13-16(21)18(2)3)12-14-6-8-15(9-7-14)20-11-5-10-17-20/h5-11H,4,12-13H2,1-3H3.
What are the key properties of 2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide?
2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide has a molecular weight of 286.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 47053553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).