N-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide

C19H19N3O — CID 826946

IUPACN-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
SMILESCCNC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O/c1-3-20-19(23)16-9-11-17(12-10-16)22-18(13-14(2)21-22)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,20,23)
InChIKeyUYHSAGGOBAGMEV-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.60
Rot. Bonds4

About N-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide

N-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide (PubChem CID 826946) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
PubChem CID826946
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
SMILESCCNC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O/c1-3-20-19(23)16-9-11-17(12-10-16)22-18(13-14(2)21-22)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,20,23)
InChIKeyUYHSAGGOBAGMEV-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
The IUPAC name of N-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide (CID 826946) is N-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
The canonical SMILES for N-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide is CCNC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1.
What is the InChIKey of N-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
The InChIKey is UYHSAGGOBAGMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-3-20-19(23)16-9-11-17(12-10-16)22-18(13-14(2)21-22)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,20,23).
What are the key properties of N-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
N-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide has a molecular weight of 305.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide is sourced from PubChem (CID 826946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).