N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

C22H21N3O2S — CID 2461467

IUPACN-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C22H21N3O2S/c1-16-21(17(2)25(23-16)18-8-4-3-5-9-18)22(26)24(14-19-10-6-12-27-19)15-20-11-7-13-28-20/h3-13H,14-15H2,1-2H3
InChIKeyQRAFEZOPXZCRKO-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.99
Rot. Bonds6

About N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 2461467) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID2461467
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C22H21N3O2S/c1-16-21(17(2)25(23-16)18-8-4-3-5-9-18)22(26)24(14-19-10-6-12-27-19)15-20-11-7-13-28-20/h3-13H,14-15H2,1-2H3
InChIKeyQRAFEZOPXZCRKO-UHFFFAOYSA-N
XLogP4.99
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (CID 2461467) is N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is QRAFEZOPXZCRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-16-21(17(2)25(23-16)18-8-4-3-5-9-18)22(26)24(14-19-10-6-12-27-19)15-20-11-7-13-28-20/h3-13H,14-15H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2461467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).