N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide

C23H21N3O3 — CID 78855267

IUPACN-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(c1cc(-c2ccco2)nn1-c1ccccc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C23H21N3O3/c27-14-13-25(17-18-8-3-1-4-9-18)23(28)21-16-20(22-12-7-15-29-22)24-26(21)19-10-5-2-6-11-19/h1-12,15-16,27H,13-14,17H2
InChIKeyQXMYONRGCHUWAW-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.77
Rot. Bonds7

About N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide

N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide (PubChem CID 78855267) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide
PubChem CID78855267
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(c1cc(-c2ccco2)nn1-c1ccccc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C23H21N3O3/c27-14-13-25(17-18-8-3-1-4-9-18)23(28)21-16-20(22-12-7-15-29-22)24-26(21)19-10-5-2-6-11-19/h1-12,15-16,27H,13-14,17H2
InChIKeyQXMYONRGCHUWAW-UHFFFAOYSA-N
XLogP3.77
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 1053873
N-benzyl-3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053910
N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053760
3-(furan-2-yl)-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 71891279
1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 1053398
1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3327558
N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide
CID 42879277
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3434474
3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide
CID 55720293
N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796020

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide (CID 78855267) is N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide is O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is QXMYONRGCHUWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-14-13-25(17-18-8-3-1-4-9-18)23(28)21-16-20(22-12-7-15-29-22)24-26(21)19-10-5-2-6-11-19/h1-12,15-16,27H,13-14,17H2.
What are the key properties of N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide?
N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 78855267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).