2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide

C24H27ClFN3O — CID 57453024

IUPAC2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC1C(C(=O)NC2CCCCCC2)=NN(c2ccccc2Cl)C1c1ccc(F)cc1
InChIInChI=1S/C24H27ClFN3O/c1-16-22(24(30)27-19-8-4-2-3-5-9-19)28-29(21-11-7-6-10-20(21)25)23(16)17-12-14-18(26)15-13-17/h6-7,10-16,19,23H,2-5,8-9H2,1H3,(H,27,30)
InChIKeyYZNAXGDLYCJJIR-UHFFFAOYSA-N
MW427.95 g/mol
LogP5.87
Rot. Bonds4

About 2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide

2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 57453024) has the molecular formula C24H27ClFN3O and a molecular weight of 427.95 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID57453024
Molecular FormulaC24H27ClFN3O
Molecular Weight427.95 g/mol
Exact Mass427.18
IUPAC Name2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC1C(C(=O)NC2CCCCCC2)=NN(c2ccccc2Cl)C1c1ccc(F)cc1
InChIInChI=1S/C24H27ClFN3O/c1-16-22(24(30)27-19-8-4-2-3-5-9-19)28-29(21-11-7-6-10-20(21)25)23(16)17-12-14-18(26)15-13-17/h6-7,10-16,19,23H,2-5,8-9H2,1H3,(H,27,30)
InChIKeyYZNAXGDLYCJJIR-UHFFFAOYSA-N
XLogP5.87
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.95
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide (CID 57453024) is 2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide is CC1C(C(=O)NC2CCCCCC2)=NN(c2ccccc2Cl)C1c1ccc(F)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is YZNAXGDLYCJJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN3O/c1-16-22(24(30)27-19-8-4-2-3-5-9-19)28-29(21-11-7-6-10-20(21)25)23(16)17-12-14-18(26)15-13-17/h6-7,10-16,19,23H,2-5,8-9H2,1H3,(H,27,30).
What are the key properties of 2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide?
2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 427.95 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-cycloheptyl-3-(4-fluorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 57453024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).