N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide

C20H17F6N3O2 — CID 11958422

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2nn1C
InChIInChI=1S/C20H17F6N3O2/c1-3-31-18-15-5-4-12(8-16(15)28-29(18)2)17(30)27-10-11-6-13(19(21,22)23)9-14(7-11)20(24,25)26/h4-9H,3,10H2,1-2H3,(H,27,30)
InChIKeyVRWVKFSWFHWUIV-UHFFFAOYSA-N
MW445.36 g/mol
LogP4.94
Rot. Bonds5

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide (PubChem CID 11958422) has the molecular formula C20H17F6N3O2 and a molecular weight of 445.36 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide
PubChem CID11958422
Molecular FormulaC20H17F6N3O2
Molecular Weight445.36 g/mol
Exact Mass445.12
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2nn1C
InChIInChI=1S/C20H17F6N3O2/c1-3-31-18-15-5-4-12(8-16(15)28-29(18)2)17(30)27-10-11-6-13(19(21,22)23)9-14(7-11)20(24,25)26/h4-9H,3,10H2,1-2H3,(H,27,30)
InChIKeyVRWVKFSWFHWUIV-UHFFFAOYSA-N
XLogP4.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide (CID 11958422) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide is CCOc1c2ccc(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2nn1C.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide?
The InChIKey is VRWVKFSWFHWUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F6N3O2/c1-3-31-18-15-5-4-12(8-16(15)28-29(18)2)17(30)27-10-11-6-13(19(21,22)23)9-14(7-11)20(24,25)26/h4-9H,3,10H2,1-2H3,(H,27,30).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide has a molecular weight of 445.36 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-ethoxy-2-methylindazole-6-carboxamide is sourced from PubChem (CID 11958422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).