N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C19H11F6N5O2S — CID 24666202

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3cnn(-c4ccc(C(F)(F)F)cn4)c3C(F)(F)F)nc12
InChIInChI=1S/C19H11F6N5O2S/c1-32-11-3-2-4-12-14(11)28-17(33-12)29-16(31)10-8-27-30(15(10)19(23,24)25)13-6-5-9(7-26-13)18(20,21)22/h2-8H,1H3,(H,28,29,31)
InChIKeyWFDCQIJHNFIZAO-UHFFFAOYSA-N
MW487.39 g/mol
LogP5.18
Rot. Bonds4

About N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 24666202) has the molecular formula C19H11F6N5O2S and a molecular weight of 487.39 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID24666202
Molecular FormulaC19H11F6N5O2S
Molecular Weight487.39 g/mol
Exact Mass487.05
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3cnn(-c4ccc(C(F)(F)F)cn4)c3C(F)(F)F)nc12
InChIInChI=1S/C19H11F6N5O2S/c1-32-11-3-2-4-12-14(11)28-17(33-12)29-16(31)10-8-27-30(15(10)19(23,24)25)13-6-5-9(7-26-13)18(20,21)22/h2-8H,1H3,(H,28,29,31)
InChIKeyWFDCQIJHNFIZAO-UHFFFAOYSA-N
XLogP5.18
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 37095235
N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43046993
N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25481374
N-pyridin-4-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39953963
N-ethyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25331750
N-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 18288195
N-(3-carbamoylphenyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25332191
2,2,2-trifluoroethyl N-(4-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 52908161
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
1-(4-methoxy-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121082158
N-(3-cyanophenyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 18267072
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
CID 17432386

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 24666202) is N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is COc1cccc2sc(NC(=O)c3cnn(-c4ccc(C(F)(F)F)cn4)c3C(F)(F)F)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is WFDCQIJHNFIZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6N5O2S/c1-32-11-3-2-4-12-14(11)28-17(33-12)29-16(31)10-8-27-30(15(10)19(23,24)25)13-6-5-9(7-26-13)18(20,21)22/h2-8H,1H3,(H,28,29,31).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 487.39 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24666202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).