N-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide

C18H17N3O — CID 132538743

IUPACN-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)c(-c2ccccc2)nn1C
InChIInChI=1S/C18H17N3O/c1-13(22)19-18-16(14-9-5-3-6-10-14)17(20-21(18)2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,19,22)
InChIKeyNSPVVZQAVVHWDQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.71
Rot. Bonds3

About N-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide

N-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide (PubChem CID 132538743) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide
PubChem CID132538743
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)c(-c2ccccc2)nn1C
InChIInChI=1S/C18H17N3O/c1-13(22)19-18-16(14-9-5-3-6-10-14)17(20-21(18)2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,19,22)
InChIKeyNSPVVZQAVVHWDQ-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide?
The IUPAC name of N-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide (CID 132538743) is N-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide.
What is the SMILES notation for N-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide?
The canonical SMILES for N-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide is CC(=O)Nc1c(-c2ccccc2)c(-c2ccccc2)nn1C.
What is the InChIKey of N-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide?
The InChIKey is NSPVVZQAVVHWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13(22)19-18-16(14-9-5-3-6-10-14)17(20-21(18)2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,19,22).
What are the key properties of N-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide?
N-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3,4-diphenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 132538743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).