2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide

C14H18N4O — CID 107462698

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
SMILESCCc1nn(C)cc1NCC(=O)Nc1ccccc1
InChIInChI=1S/C14H18N4O/c1-3-12-13(10-18(2)17-12)15-9-14(19)16-11-7-5-4-6-8-11/h4-8,10,15H,3,9H2,1-2H3,(H,16,19)
InChIKeyZTJAUXLEYYWZON-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.03
Rot. Bonds5

About 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide

2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide (PubChem CID 107462698) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
PubChem CID107462698
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
SMILESCCc1nn(C)cc1NCC(=O)Nc1ccccc1
InChIInChI=1S/C14H18N4O/c1-3-12-13(10-18(2)17-12)15-9-14(19)16-11-7-5-4-6-8-11/h4-8,10,15H,3,9H2,1-2H3,(H,16,19)
InChIKeyZTJAUXLEYYWZON-UHFFFAOYSA-N
XLogP2.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(4-methylphenyl)acetamide
CID 107462786
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide
CID 102805405
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylacetamide
CID 107462767
N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide
CID 107462794
2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
CID 107462256
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463077
2-amino-N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]acetamide
CID 107463145
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 107462966
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805280
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide (CID 107462698) is 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide is CCc1nn(C)cc1NCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide?
The InChIKey is ZTJAUXLEYYWZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-12-13(10-18(2)17-12)15-9-14(19)16-11-7-5-4-6-8-11/h4-8,10,15H,3,9H2,1-2H3,(H,16,19).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide?
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide has a molecular weight of 258.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide is sourced from PubChem (CID 107462698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).