N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide

C25H27N3O — CID 121139309

IUPACN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide
SMILESO=C(NCCn1nc(C2CC2)cc1C1CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O/c29-25(24(20-7-3-1-4-8-20)21-9-5-2-6-10-21)26-15-16-28-23(19-13-14-19)17-22(27-28)18-11-12-18/h1-10,17-19,24H,11-16H2,(H,26,29)
InChIKeyUNSITIWNJHVTAF-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.59
Rot. Bonds8

About N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide (PubChem CID 121139309) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide
PubChem CID121139309
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide
SMILESO=C(NCCn1nc(C2CC2)cc1C1CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O/c29-25(24(20-7-3-1-4-8-20)21-9-5-2-6-10-21)26-15-16-28-23(19-13-14-19)17-22(27-28)18-11-12-18/h1-10,17-19,24H,11-16H2,(H,26,29)
InChIKeyUNSITIWNJHVTAF-UHFFFAOYSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide (CID 121139309) is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide is O=C(NCCn1nc(C2CC2)cc1C1CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide?
The InChIKey is UNSITIWNJHVTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c29-25(24(20-7-3-1-4-8-20)21-9-5-2-6-10-21)26-15-16-28-23(19-13-14-19)17-22(27-28)18-11-12-18/h1-10,17-19,24H,11-16H2,(H,26,29).
What are the key properties of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide?
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide has a molecular weight of 385.51 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 121139309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).