N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide

C19H19N3O2 — CID 2053691

IUPACN-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCO)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14-17(19(24)20-12-13-23)18(15-8-4-2-5-9-15)21-22(14)16-10-6-3-7-11-16/h2-11,23H,12-13H2,1H3,(H,20,24)
InChIKeyBAOJPVZUZKJNCI-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.57
Rot. Bonds5

About N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide

N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 2053691) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID2053691
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCO)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14-17(19(24)20-12-13-23)18(15-8-4-2-5-9-15)21-22(14)16-10-6-3-7-11-16/h2-11,23H,12-13H2,1H3,(H,20,24)
InChIKeyBAOJPVZUZKJNCI-UHFFFAOYSA-N
XLogP2.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide (CID 2053691) is N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide is Cc1c(C(=O)NCCO)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is BAOJPVZUZKJNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-17(19(24)20-12-13-23)18(15-8-4-2-5-9-15)21-22(14)16-10-6-3-7-11-16/h2-11,23H,12-13H2,1H3,(H,20,24).
What are the key properties of N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 2053691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).