N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

C22H13ClF3N5OS — CID 29096655

IUPACN-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1
InChIInChI=1S/C22H13ClF3N5OS/c23-16-10-13(6-7-17(16)30-9-8-27-12-30)28-20(32)18-11-15-19(22(24,25)26)29-31(21(15)33-18)14-4-2-1-3-5-14/h1-12H,(H,28,32)
InChIKeyHTHQMPJPNNMOJB-UHFFFAOYSA-N
MW487.89 g/mol
LogP6.20
Rot. Bonds4

About N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 29096655) has the molecular formula C22H13ClF3N5OS and a molecular weight of 487.89 g/mol. Its IUPAC name is N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID29096655
Molecular FormulaC22H13ClF3N5OS
Molecular Weight487.89 g/mol
Exact Mass487.05
IUPAC NameN-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1
InChIInChI=1S/C22H13ClF3N5OS/c23-16-10-13(6-7-17(16)30-9-8-27-12-30)28-20(32)18-11-15-19(22(24,25)26)29-31(21(15)33-18)14-4-2-1-3-5-14/h1-12H,(H,28,32)
InChIKeyHTHQMPJPNNMOJB-UHFFFAOYSA-N
XLogP6.20
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.89
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092214
1-phenyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29096590
N-(3-chloro-4-fluorophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 3907161
N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 171314963
1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29097500
1-methyl-N-(2-methylphenyl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29096728
N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 44823976
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2328097
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46540625
N-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819670
N-[1-(2,2-dimethylpropanoyl)-2,3-dihydroindol-5-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819696
3-tert-butyl-1-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 43543129

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 29096655) is N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1.
What is the InChIKey of N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is HTHQMPJPNNMOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF3N5OS/c23-16-10-13(6-7-17(16)30-9-8-27-12-30)28-20(32)18-11-15-19(22(24,25)26)29-31(21(15)33-18)14-4-2-1-3-5-14/h1-12H,(H,28,32).
What are the key properties of N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 487.89 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-imidazol-1-ylphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 29096655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).