1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide

C22H19Cl2F3N4O2 — CID 16717851

IUPAC1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide
SMILESCOc1c(C(=O)NN2CCC(C(F)(F)F)C2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl2F3N4O2/c1-33-20-18(21(32)29-30-11-10-14(12-30)22(25,26)27)28-31(17-5-3-2-4-16(17)24)19(20)13-6-8-15(23)9-7-13/h2-9,14H,10-12H2,1H3,(H,29,32)
InChIKeyQBMRRNPDRYXQTJ-UHFFFAOYSA-N
MW499.32 g/mol
LogP5.38
Rot. Bonds5

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide (PubChem CID 16717851) has the molecular formula C22H19Cl2F3N4O2 and a molecular weight of 499.32 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide
PubChem CID16717851
Molecular FormulaC22H19Cl2F3N4O2
Molecular Weight499.32 g/mol
Exact Mass498.08
IUPAC Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide
SMILESCOc1c(C(=O)NN2CCC(C(F)(F)F)C2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl2F3N4O2/c1-33-20-18(21(32)29-30-11-10-14(12-30)22(25,26)27)28-31(17-5-3-2-4-16(17)24)19(20)13-6-8-15(23)9-7-13/h2-9,14H,10-12H2,1H3,(H,29,32)
InChIKeyQBMRRNPDRYXQTJ-UHFFFAOYSA-N
XLogP5.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.32
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[(2Z)-2-amino-2-hydroxyiminoethyl]-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide (CID 16717851) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide is COc1c(C(=O)NN2CCC(C(F)(F)F)C2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide?
The InChIKey is QBMRRNPDRYXQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2F3N4O2/c1-33-20-18(21(32)29-30-11-10-14(12-30)22(25,26)27)28-31(17-5-3-2-4-16(17)24)19(20)13-6-8-15(23)9-7-13/h2-9,14H,10-12H2,1H3,(H,29,32).
What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide?
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide has a molecular weight of 499.32 g/mol, XLogP of 5.38, 5 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-methoxy-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 16717851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).