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

C25H25ClN4O2 — CID 1053760

IUPACN-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1Cl
InChIInChI=1S/C25H25ClN4O2/c1-28(2)14-15-29(18-19-9-4-3-5-10-19)25(31)23-17-21(24-13-8-16-32-24)27-30(23)22-12-7-6-11-20(22)26/h3-13,16-17H,14-15,18H2,1-2H3
InChIKeyNDPOCJYZMRCZLG-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.99
Rot. Bonds8

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

N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide (PubChem CID 1053760) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
PubChem CID1053760
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC NameN-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1Cl
InChIInChI=1S/C25H25ClN4O2/c1-28(2)14-15-29(18-19-9-4-3-5-10-19)25(31)23-17-21(24-13-8-16-32-24)27-30(23)22-12-7-6-11-20(22)26/h3-13,16-17H,14-15,18H2,1-2H3
InChIKeyNDPOCJYZMRCZLG-UHFFFAOYSA-N
XLogP4.99
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.99
H-Bond Donors ≤ 50
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)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide
CID 78855267
N-benzyl-3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053910
N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide
CID 42879277
1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 1053398
1-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053559
1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 1053753
N-benzyl-3-(2,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide
CID 3879204
1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3327558
3-(furan-2-yl)-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 71891279
N-benzyl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3371409
1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
CID 43381485

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide (CID 1053760) is N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide is CN(C)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1Cl.
What is the InChIKey of N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide?
The InChIKey is NDPOCJYZMRCZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-28(2)14-15-29(18-19-9-4-3-5-10-19)25(31)23-17-21(24-13-8-16-32-24)27-30(23)22-12-7-6-11-20(22)26/h3-13,16-17H,14-15,18H2,1-2H3.
What are the key properties of N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide?
N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide has a molecular weight of 448.95 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 1053760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).