N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide

C13H16N4O — CID 51361054

IUPACN-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(C)nn2C)c1
InChIInChI=1S/C13H16N4O/c1-9-7-13(17(3)16-9)15-12-6-4-5-11(8-12)14-10(2)18/h4-8,15H,1-3H3,(H,14,18)
InChIKeyCQBZKIXJJDZSHF-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.43
Rot. Bonds3

About N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide

N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide (PubChem CID 51361054) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide
PubChem CID51361054
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(C)nn2C)c1
InChIInChI=1S/C13H16N4O/c1-9-7-13(17(3)16-9)15-12-6-4-5-11(8-12)14-10(2)18/h4-8,15H,1-3H3,(H,14,18)
InChIKeyCQBZKIXJJDZSHF-UHFFFAOYSA-N
XLogP2.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide (CID 51361054) is N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cc(C)nn2C)c1.
What is the InChIKey of N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide?
The InChIKey is CQBZKIXJJDZSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-7-13(17(3)16-9)15-12-6-4-5-11(8-12)14-10(2)18/h4-8,15H,1-3H3,(H,14,18).
What are the key properties of N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide?
N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide has a molecular weight of 244.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 51361054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).