2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide

C13H16N4O — CID 81470640

IUPAC2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
SMILESCC(NCC(N)=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H16N4O/c1-10(15-8-13(14)18)11-7-16-17(9-11)12-5-3-2-4-6-12/h2-7,9-10,15H,8H2,1H3,(H2,14,18)
InChIKeyXVYCJKOYDBRDKH-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.01
Rot. Bonds5

About 2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide

2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide (PubChem CID 81470640) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
PubChem CID81470640
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
SMILESCC(NCC(N)=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H16N4O/c1-10(15-8-13(14)18)11-7-16-17(9-11)12-5-3-2-4-6-12/h2-7,9-10,15H,8H2,1H3,(H2,14,18)
InChIKeyXVYCJKOYDBRDKH-UHFFFAOYSA-N
XLogP1.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide
CID 106171896
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide
CID 81470721
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81297961
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide?
The IUPAC name of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide (CID 81470640) is 2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide.
What is the SMILES notation for 2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide?
The canonical SMILES for 2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide is CC(NCC(N)=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide?
The InChIKey is XVYCJKOYDBRDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(15-8-13(14)18)11-7-16-17(9-11)12-5-3-2-4-6-12/h2-7,9-10,15H,8H2,1H3,(H2,14,18).
What are the key properties of 2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide?
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide is sourced from PubChem (CID 81470640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).