N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide

C19H19N3O2 — CID 110886500

IUPACN-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H19N3O2/c23-12-11-22(14-15-7-3-1-4-8-15)19(24)18-13-17(20-21-18)16-9-5-2-6-10-16/h1-10,13,23H,11-12,14H2,(H,20,21)
InChIKeyGATOJBSTOGFTMT-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.71
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide

N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 110886500) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID110886500
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H19N3O2/c23-12-11-22(14-15-7-3-1-4-8-15)19(24)18-13-17(20-21-18)16-9-5-2-6-10-16/h1-10,13,23H,11-12,14H2,(H,20,21)
InChIKeyGATOJBSTOGFTMT-UHFFFAOYSA-N
XLogP2.71
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 110886500) is N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide is O=C(c1cc(-c2ccccc2)n[nH]1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is GATOJBSTOGFTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-12-11-22(14-15-7-3-1-4-8-15)19(24)18-13-17(20-21-18)16-9-5-2-6-10-16/h1-10,13,23H,11-12,14H2,(H,20,21).
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110886500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).