3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide

C16H12F6N4O — CID 164623809

IUPAC3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1c(-c2n[nH]c3cc(C(F)(F)F)ccc23)c[nH]c1C(=O)NCC(F)(F)F
InChIInChI=1S/C16H12F6N4O/c1-7-10(5-23-12(7)14(27)24-6-15(17,18)19)13-9-3-2-8(16(20,21)22)4-11(9)25-26-13/h2-5,23H,6H2,1H3,(H,24,27)(H,25,26)
InChIKeyVRTUBEIEOIBLCD-UHFFFAOYSA-N
MW390.29 g/mol
LogP4.18
Rot. Bonds3

About 3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide

3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 164623809) has the molecular formula C16H12F6N4O and a molecular weight of 390.29 g/mol. Its IUPAC name is 3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID164623809
Molecular FormulaC16H12F6N4O
Molecular Weight390.29 g/mol
Exact Mass390.09
IUPAC Name3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1c(-c2n[nH]c3cc(C(F)(F)F)ccc23)c[nH]c1C(=O)NCC(F)(F)F
InChIInChI=1S/C16H12F6N4O/c1-7-10(5-23-12(7)14(27)24-6-15(17,18)19)13-9-3-2-8(16(20,21)22)4-11(9)25-26-13/h2-5,23H,6H2,1H3,(H,24,27)(H,25,26)
InChIKeyVRTUBEIEOIBLCD-UHFFFAOYSA-N
XLogP4.18
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide (CID 164623809) is 3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide is Cc1c(-c2n[nH]c3cc(C(F)(F)F)ccc23)c[nH]c1C(=O)NCC(F)(F)F.
What is the InChIKey of 3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is VRTUBEIEOIBLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N4O/c1-7-10(5-23-12(7)14(27)24-6-15(17,18)19)13-9-3-2-8(16(20,21)22)4-11(9)25-26-13/h2-5,23H,6H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide?
3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 390.29 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,2-trifluoroethyl)-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164623809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).