N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide

C12H13N3O2 — CID 809626

IUPACN-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2N=C(C)CC2=O)cc1
InChIInChI=1S/C12H13N3O2/c1-8-7-12(17)15(14-8)11-5-3-10(4-6-11)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyVIPJLQIUGCUTJD-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.76
Rot. Bonds2

About N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide

N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide (PubChem CID 809626) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
PubChem CID809626
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2N=C(C)CC2=O)cc1
InChIInChI=1S/C12H13N3O2/c1-8-7-12(17)15(14-8)11-5-3-10(4-6-11)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyVIPJLQIUGCUTJD-UHFFFAOYSA-N
XLogP1.76
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mci-186
CID 4021
4-Aminoacetanilide
CID 31230
2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
CID 66591
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)-
CID 80816
3-amino-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
CID 77794
N,N'-diacetyl-p-phenylenediamine
CID 67324
1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
CID 668302
4,5-dihydro-6-methyl-2-phenylpyridazin-3(2H)-one
CID 78330
3,4-Dimethyl-1-phenyl-1H-pyrazol-5(4H)-one
CID 86633
1-(4-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 702012
4-Isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 4998861
3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-
CID 136765

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide (CID 809626) is N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(N2N=C(C)CC2=O)cc1.
What is the InChIKey of N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide?
The InChIKey is VIPJLQIUGCUTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-7-12(17)15(14-8)11-5-3-10(4-6-11)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide?
N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide has a molecular weight of 231.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 809626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).