1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide

C21H18Cl2F2N4O2 — CID 16717742

IUPAC1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide
SMILESO=C(NN1CCCC1)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1OC(F)F
InChIInChI=1S/C21H18Cl2F2N4O2/c22-14-9-7-13(8-10-14)18-19(31-21(24)25)17(20(30)27-28-11-3-4-12-28)26-29(18)16-6-2-1-5-15(16)23/h1-2,5-10,21H,3-4,11-12H2,(H,27,30)
InChIKeyOOKCYMKYYHSDDV-UHFFFAOYSA-N
MW467.30 g/mol
LogP5.19
Rot. Bonds6

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide (PubChem CID 16717742) has the molecular formula C21H18Cl2F2N4O2 and a molecular weight of 467.30 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide
PubChem CID16717742
Molecular FormulaC21H18Cl2F2N4O2
Molecular Weight467.30 g/mol
Exact Mass466.08
IUPAC Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide
SMILESO=C(NN1CCCC1)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1OC(F)F
InChIInChI=1S/C21H18Cl2F2N4O2/c22-14-9-7-13(8-10-14)18-19(31-21(24)25)17(20(30)27-28-11-3-4-12-28)26-29(18)16-6-2-1-5-15(16)23/h1-2,5-10,21H,3-4,11-12H2,(H,27,30)
InChIKeyOOKCYMKYYHSDDV-UHFFFAOYSA-N
XLogP5.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.30
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide (CID 16717742) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide is O=C(NN1CCCC1)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1OC(F)F.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide?
The InChIKey is OOKCYMKYYHSDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2F2N4O2/c22-14-9-7-13(8-10-14)18-19(31-21(24)25)17(20(30)27-28-11-3-4-12-28)26-29(18)16-6-2-1-5-15(16)23/h1-2,5-10,21H,3-4,11-12H2,(H,27,30).
What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide?
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide has a molecular weight of 467.30 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 16717742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).