N-ethyl-1,5-diphenylpyrazole-4-carboxamide

C18H17N3O — CID 5193829

IUPACN-ethyl-1,5-diphenylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H17N3O/c1-2-19-18(22)16-13-20-21(15-11-7-4-8-12-15)17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,19,22)
InChIKeyAXWUOOACKHWONL-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.29
Rot. Bonds4

About N-ethyl-1,5-diphenylpyrazole-4-carboxamide

N-ethyl-1,5-diphenylpyrazole-4-carboxamide (PubChem CID 5193829) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-ethyl-1,5-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,5-diphenylpyrazole-4-carboxamide
PubChem CID5193829
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-ethyl-1,5-diphenylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H17N3O/c1-2-19-18(22)16-13-20-21(15-11-7-4-8-12-15)17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,19,22)
InChIKeyAXWUOOACKHWONL-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,5-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1,5-diphenylpyrazole-4-carboxamide (CID 5193829) is N-ethyl-1,5-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1,5-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1,5-diphenylpyrazole-4-carboxamide is CCNC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-ethyl-1,5-diphenylpyrazole-4-carboxamide?
The InChIKey is AXWUOOACKHWONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-19-18(22)16-13-20-21(15-11-7-4-8-12-15)17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,19,22).
What are the key properties of N-ethyl-1,5-diphenylpyrazole-4-carboxamide?
N-ethyl-1,5-diphenylpyrazole-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,5-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 5193829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).