N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide

C11H13N3O — CID 793093

IUPACN-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)CC1
InChIInChI=1S/C11H13N3O/c1-9(15)12-11-7-8-14(13-11)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13,15)
InChIKeyOFALDRHRMJLQLS-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.35
Rot. Bonds1

About N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide

N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide (PubChem CID 793093) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide
PubChem CID793093
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)CC1
InChIInChI=1S/C11H13N3O/c1-9(15)12-11-7-8-14(13-11)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13,15)
InChIKeyOFALDRHRMJLQLS-UHFFFAOYSA-N
XLogP1.35
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide?
The IUPAC name of N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide (CID 793093) is N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide.
What is the SMILES notation for N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide?
The canonical SMILES for N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide is CC(=O)NC1=NN(c2ccccc2)CC1.
What is the InChIKey of N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide?
The InChIKey is OFALDRHRMJLQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9(15)12-11-7-8-14(13-11)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13,15).
What are the key properties of N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide?
N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide has a molecular weight of 203.25 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide is sourced from PubChem (CID 793093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).