N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide

C16H12F3N3O2 — CID 18447416

IUPACN-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)24-13-4-1-10(2-5-13)8-20-15(23)11-3-6-14-12(7-11)9-21-22-14/h1-7,9H,8H2,(H,20,23)(H,21,22)
InChIKeyMHAAFTZYFSJNSZ-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.39
Rot. Bonds4

About N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide

N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide (PubChem CID 18447416) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide
PubChem CID18447416
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC NameN-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)24-13-4-1-10(2-5-13)8-20-15(23)11-3-6-14-12(7-11)9-21-22-14/h1-7,9H,8H2,(H,20,23)(H,21,22)
InChIKeyMHAAFTZYFSJNSZ-UHFFFAOYSA-N
XLogP3.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide (CID 18447416) is N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide?
The InChIKey is MHAAFTZYFSJNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)24-13-4-1-10(2-5-13)8-20-15(23)11-3-6-14-12(7-11)9-21-22-14/h1-7,9H,8H2,(H,20,23)(H,21,22).
What are the key properties of N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide?
N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 18447416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).