N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide

C13H15N3O — CID 132538742

IUPACN-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)c(C)nn1C
InChIInChI=1S/C13H15N3O/c1-9-12(11-7-5-4-6-8-11)13(14-10(2)17)16(3)15-9/h4-8H,1-3H3,(H,14,17)
InChIKeyHULDIICRTCTCOT-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.35
Rot. Bonds2

About N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide

N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide (PubChem CID 132538742) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide
PubChem CID132538742
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)c(C)nn1C
InChIInChI=1S/C13H15N3O/c1-9-12(11-7-5-4-6-8-11)13(14-10(2)17)16(3)15-9/h4-8H,1-3H3,(H,14,17)
InChIKeyHULDIICRTCTCOT-UHFFFAOYSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,3-dimethyl-4-phenylpyrazol-5-yl)amino]-4-oxobutanoic acid
CID 134712423
N-(4-iodo-1-methyl-3-phenylpyrazol-5-yl)acetamide
CID 86717324
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 134707784
N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 127292748
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-4-(4-methylpiperazin-1-yl)pentanamide
CID 134702012
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide
CID 134703688
N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide
CID 134710429
1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 72904484
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(4-methylphenoxy)propanamide
CID 56536116
4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide
CID 56575763
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide
CID 56536302
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-nitrophenyl)acetamide
CID 56536137

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide?
The IUPAC name of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide (CID 132538742) is N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide?
The canonical SMILES for N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide is CC(=O)Nc1c(-c2ccccc2)c(C)nn1C.
What is the InChIKey of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide?
The InChIKey is HULDIICRTCTCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-12(11-7-5-4-6-8-11)13(14-10(2)17)16(3)15-9/h4-8H,1-3H3,(H,14,17).
What are the key properties of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide?
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide has a molecular weight of 229.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 132538742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).