N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide

C24H21F3N4O — CID 68976690

IUPACN-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCN(C(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)C1CC2C=CC1C2
InChIInChI=1S/C24H21F3N4O/c1-30(21-12-15-4-5-17(21)11-15)23(32)16-6-8-19(9-7-16)31-22(24(25,26)27)13-20(29-31)18-3-2-10-28-14-18/h2-10,13-15,17,21H,11-12H2,1H3
InChIKeyBSOMNYVZZHLPEX-UHFFFAOYSA-N
MW438.45 g/mol
LogP4.99
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 68976690) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID68976690
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCN(C(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)C1CC2C=CC1C2
InChIInChI=1S/C24H21F3N4O/c1-30(21-12-15-4-5-17(21)11-15)23(32)16-6-8-19(9-7-16)31-22(24(25,26)27)13-20(29-31)18-3-2-10-28-14-18/h2-10,13-15,17,21H,11-12H2,1H3
InChIKeyBSOMNYVZZHLPEX-UHFFFAOYSA-N
XLogP4.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 68976690) is N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide is CN(C(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)C1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is BSOMNYVZZHLPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c1-30(21-12-15-4-5-17(21)11-15)23(32)16-6-8-19(9-7-16)31-22(24(25,26)27)13-20(29-31)18-3-2-10-28-14-18/h2-10,13-15,17,21H,11-12H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 438.45 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 68976690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).