4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide

C16H12F3N3O — CID 6623795

IUPAC4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide
SMILESCc1cccc2c1cnn2C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3O/c1-10-4-2-7-14-13(10)9-20-22(14)15(23)21-12-6-3-5-11(8-12)16(17,18)19/h2-9H,1H3,(H,21,23)
InChIKeyQBTFPQLTDQXDIH-UHFFFAOYSA-N
MW319.29 g/mol
LogP4.44
Rot. Bonds1

About 4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide

4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide (PubChem CID 6623795) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide
PubChem CID6623795
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide
SMILESCc1cccc2c1cnn2C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3O/c1-10-4-2-7-14-13(10)9-20-22(14)15(23)21-12-6-3-5-11(8-12)16(17,18)19/h2-9H,1H3,(H,21,23)
InChIKeyQBTFPQLTDQXDIH-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
1-[3-(tert-butylamino)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 146622176
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112973376
2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3715457
1-[3-(2,6-dimethylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108881565
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
N-[3-(trifluoromethyl)phenyl]ethanethioamide
CID 3038368
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
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2-acetyl-N-[3-(trifluoromethyl)phenyl]diazinane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide?
The IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide (CID 6623795) is 4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide is Cc1cccc2c1cnn2C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide?
The InChIKey is QBTFPQLTDQXDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-10-4-2-7-14-13(10)9-20-22(14)15(23)21-12-6-3-5-11(8-12)16(17,18)19/h2-9H,1H3,(H,21,23).
What are the key properties of 4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide?
4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide has a molecular weight of 319.29 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide is sourced from PubChem (CID 6623795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).