N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide

C26H28N4O2 — CID 1053873

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccco3)cc2C(=O)N(CCN(C)C)Cc2ccccc2)c1
InChIInChI=1S/C26H28N4O2/c1-20-9-7-12-22(17-20)30-24(18-23(27-30)25-13-8-16-32-25)26(31)29(15-14-28(2)3)19-21-10-5-4-6-11-21/h4-13,16-18H,14-15,19H2,1-3H3
InChIKeyNJQQZVYVOPYZNZ-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.64
Rot. Bonds8

About N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide

N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide (PubChem CID 1053873) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
PubChem CID1053873
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccco3)cc2C(=O)N(CCN(C)C)Cc2ccccc2)c1
InChIInChI=1S/C26H28N4O2/c1-20-9-7-12-22(17-20)30-24(18-23(27-30)25-13-8-16-32-25)26(31)29(15-14-28(2)3)19-21-10-5-4-6-11-21/h4-13,16-18H,14-15,19H2,1-3H3
InChIKeyNJQQZVYVOPYZNZ-UHFFFAOYSA-N
XLogP4.64
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide
CID 78855267
N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053760
N-benzyl-3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053910
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758335
N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3946312
3-(furan-2-yl)-N-(2-methoxyethyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42762387
3-(furan-2-yl)-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 71891279
1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3327558
3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
CID 7413877
N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide
CID 42879277
3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053861

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide (CID 1053873) is N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide is Cc1cccc(-n2nc(-c3ccco3)cc2C(=O)N(CCN(C)C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is NJQQZVYVOPYZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-20-9-7-12-22(17-20)30-24(18-23(27-30)25-13-8-16-32-25)26(31)29(15-14-28(2)3)19-21-10-5-4-6-11-21/h4-13,16-18H,14-15,19H2,1-3H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 1053873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).