N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide

C32H26ClF6N3O3 — CID 2742775

IUPACN-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2cc(C(C)(C)C)oc2C)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C32H26ClF6N3O3/c1-16-23(14-27(45-16)30(3,4)5)25-15-28(40-29(43)24-13-26(44-17(24)2)18-6-8-21(33)9-7-18)42(41-25)22-11-19(31(34,35)36)10-20(12-22)32(37,38)39/h6-15H,1-5H3,(H,40,43)
InChIKeyIBWKMDBYCGHAGB-UHFFFAOYSA-N
MW650.02 g/mol
LogP10.25
Rot. Bonds5

About N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide

N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide (PubChem CID 2742775) has the molecular formula C32H26ClF6N3O3 and a molecular weight of 650.02 g/mol. Its IUPAC name is N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
PubChem CID2742775
Molecular FormulaC32H26ClF6N3O3
Molecular Weight650.02 g/mol
Exact Mass649.16
IUPAC NameN-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2cc(C(C)(C)C)oc2C)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C32H26ClF6N3O3/c1-16-23(14-27(45-16)30(3,4)5)25-15-28(40-29(43)24-13-26(44-17(24)2)18-6-8-21(33)9-7-18)42(41-25)22-11-19(31(34,35)36)10-20(12-22)32(37,38)39/h6-15H,1-5H3,(H,40,43)
InChIKeyIBWKMDBYCGHAGB-UHFFFAOYSA-N
XLogP10.25
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.02
LogP ≤ 510.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-3-yl]-3-(2-cyanophenyl)urea
CID 2742776
1-[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2742777
5-(4-Chlorophenyl)-N-[1-(4-fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]-2-methyl-3-furancarboxamide
CID 2742756
5-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-methylfuran-3-carboxamide
CID 2742779
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-(furan-2-yl)propanamide
CID 52555202
N-[2-[3,5-bis(trifluoromethyl)phenyl]-5-(furan-2-yl)pyrazol-3-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742782
5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide
CID 2742768
N-{1-[3,5-bis(trifluoromethyl)phenyl]-3-[5-(tert-butyl)-2-methyl-3-furyl]-1H-pyrazol-5-yl}-2,6-dichloroisonicotinamide
CID 2781843
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 52555205
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 55758236
N-[1-(3-Fluorophenyl)-3-phenyl-1H-pyrazol-5-YL]-2,5-dimethylfuran-3-carboxamide
CID 71959032
2,5-dimethyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]furan-3-carboxamide
CID 78837968

Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide (CID 2742775) is N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide is Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2cc(C(C)(C)C)oc2C)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is IBWKMDBYCGHAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26ClF6N3O3/c1-16-23(14-27(45-16)30(3,4)5)25-15-28(40-29(43)24-13-26(44-17(24)2)18-6-8-21(33)9-7-18)42(41-25)22-11-19(31(34,35)36)10-20(12-22)32(37,38)39/h6-15H,1-5H3,(H,40,43).
What are the key properties of N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide?
N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide has a molecular weight of 650.02 g/mol, XLogP of 10.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-yl]-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 2742775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).