2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide

C15H15N5O3 — CID 166389492

IUPAC2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide
SMILESCn1cc(C(O)C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)cn1
InChIInChI=1S/C15H15N5O3/c1-20-8-10(7-16-20)14(22)15(23)17-11-4-2-9(3-5-11)12-6-13(21)19-18-12/h2-8,14,22H,1H3,(H,17,23)(H2,18,19,21)
InChIKeyPFNCRJFXQUGNLD-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.78
Rot. Bonds4

About 2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide

2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide (PubChem CID 166389492) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide
PubChem CID166389492
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide
SMILESCn1cc(C(O)C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)cn1
InChIInChI=1S/C15H15N5O3/c1-20-8-10(7-16-20)14(22)15(23)17-11-4-2-9(3-5-11)12-6-13(21)19-18-12/h2-8,14,22H,1H3,(H,17,23)(H2,18,19,21)
InChIKeyPFNCRJFXQUGNLD-UHFFFAOYSA-N
XLogP0.78
TPSA115.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide (CID 166389492) is 2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide is Cn1cc(C(O)C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)cn1.
What is the InChIKey of 2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide?
The InChIKey is PFNCRJFXQUGNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-20-8-10(7-16-20)14(22)15(23)17-11-4-2-9(3-5-11)12-6-13(21)19-18-12/h2-8,14,22H,1H3,(H,17,23)(H2,18,19,21).
What are the key properties of 2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide?
2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide has a molecular weight of 313.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 166389492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).