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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Related Compounds

N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
N-benzyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135881882
N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 60682006
N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 47002987
N-benzyl-N-(2-hydroxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78855200
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
methyl 2-[benzyl-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]acetate
CID 55992209
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 79377189
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 86906625

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).