5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide

C20H15Cl2F4N3O2 — CID 55521609

IUPAC5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C20H15Cl2F4N3O2/c1-11-17(18(22)29(28-11)9-12-2-5-14(23)6-3-12)19(30)27-15-8-13(21)4-7-16(15)31-10-20(24,25)26/h2-8H,9-10H2,1H3,(H,27,30)
InChIKeyPOPLLVOTANUVQR-UHFFFAOYSA-N
MW476.26 g/mol
LogP5.88
Rot. Bonds6

About 5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide

5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide (PubChem CID 55521609) has the molecular formula C20H15Cl2F4N3O2 and a molecular weight of 476.26 g/mol. Its IUPAC name is 5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
PubChem CID55521609
Molecular FormulaC20H15Cl2F4N3O2
Molecular Weight476.26 g/mol
Exact Mass475.05
IUPAC Name5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C20H15Cl2F4N3O2/c1-11-17(18(22)29(28-11)9-12-2-5-14(23)6-3-12)19(30)27-15-8-13(21)4-7-16(15)31-10-20(24,25)26/h2-8H,9-10H2,1H3,(H,27,30)
InChIKeyPOPLLVOTANUVQR-UHFFFAOYSA-N
XLogP5.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.26
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
5-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 56581250
5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18292119
1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide
CID 4965546
5-chloro-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 39821122
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-quinolin-8-ylpyrazole-4-carboxamide
CID 55498739
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 29498844
5-chloro-1-[(4-fluorophenyl)methyl]-N-(6-methoxy-3-pyridinyl)-3-methylpyrazole-4-carboxamide
CID 26018248
N-[4-(carbamoylamino)phenyl]-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 33155398
1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8893300
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759004

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide (CID 55521609) is 5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of 5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is POPLLVOTANUVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F4N3O2/c1-11-17(18(22)29(28-11)9-12-2-5-14(23)6-3-12)19(30)27-15-8-13(21)4-7-16(15)31-10-20(24,25)26/h2-8H,9-10H2,1H3,(H,27,30).
What are the key properties of 5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 476.26 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55521609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).