N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide

C24H20F3N3OS — CID 23627754

IUPACN,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)s2)cc1C(F)(F)F
InChIInChI=1S/C24H20F3N3OS/c1-29-22(24(25,26)27)14-19(28-29)20-12-13-21(32-20)23(31)30(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
InChIKeyWHNMCLSORIFYCT-UHFFFAOYSA-N
MW455.51 g/mol
LogP6.01
Rot. Bonds6

About N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide

N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 23627754) has the molecular formula C24H20F3N3OS and a molecular weight of 455.51 g/mol. Its IUPAC name is N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID23627754
Molecular FormulaC24H20F3N3OS
Molecular Weight455.51 g/mol
Exact Mass455.13
IUPAC NameN,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)s2)cc1C(F)(F)F
InChIInChI=1S/C24H20F3N3OS/c1-29-22(24(25,26)27)14-19(28-29)20-12-13-21(32-20)23(31)30(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
InChIKeyWHNMCLSORIFYCT-UHFFFAOYSA-N
XLogP6.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 23627754) is N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is Cn1nc(-c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)s2)cc1C(F)(F)F.
What is the InChIKey of N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is WHNMCLSORIFYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3OS/c1-29-22(24(25,26)27)14-19(28-29)20-12-13-21(32-20)23(31)30(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3.
What are the key properties of N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 23627754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).