1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C19H14Cl2F3N3O2 — CID 16718290

IUPAC1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCOc1c(C(=O)NCC(F)(F)F)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2F3N3O2/c1-29-17-15(18(28)25-10-19(22,23)24)26-27(14-5-3-2-4-13(14)21)16(17)11-6-8-12(20)9-7-11/h2-9H,10H2,1H3,(H,25,28)
InChIKeySOPUIDIJDHHXJF-UHFFFAOYSA-N
MW444.24 g/mol
LogP5.15
Rot. Bonds5

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 16718290) has the molecular formula C19H14Cl2F3N3O2 and a molecular weight of 444.24 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID16718290
Molecular FormulaC19H14Cl2F3N3O2
Molecular Weight444.24 g/mol
Exact Mass443.04
IUPAC Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCOc1c(C(=O)NCC(F)(F)F)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2F3N3O2/c1-29-17-15(18(28)25-10-19(22,23)24)26-27(14-5-3-2-4-13(14)21)16(17)11-6-8-12(20)9-7-11/h2-9H,10H2,1H3,(H,25,28)
InChIKeySOPUIDIJDHHXJF-UHFFFAOYSA-N
XLogP5.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.24
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-6,7-dihydro-2H-pyrazolo(3,4-f)(1,4)oxazepin-8(5H)-one
CID 11316919
Ether-based lactam, 19e
CID 11488131
2H-Pyrazolo[3,4-f][1,4]oxazepin-8(5H)-one,2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-6,7-dihydro-
CID 11190290
Ether-based lactam, 19b
CID 11384486
Ether-based lactam, 19a
CID 42617982
5-(4-Cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-methoxy-Npiperidin-1-yl-1-H-pyrazole-3-carboxamide
CID 44190468
Pyrazole derivative 8
CID 16049863
Pyrazole derivative 7
CID 16717804
Pyrazole derivative 4
CID 66863165
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284348
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,6-dimethyl-7-(2,2,2-trifluoroethyl)-5H-pyrazolo[3,4-f][1,4]oxazepin-8-one
CID 11443095
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(difluoromethoxy)-N-pyrrolidin-1-ylpyrazole-3-carboxamide
CID 16717742

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 16718290) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is COc1c(C(=O)NCC(F)(F)F)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is SOPUIDIJDHHXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3N3O2/c1-29-17-15(18(28)25-10-19(22,23)24)26-27(14-5-3-2-4-13(14)21)16(17)11-6-8-12(20)9-7-11/h2-9H,10H2,1H3,(H,25,28).
What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 444.24 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 16718290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).