5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide

C16H18F3N3O — CID 78868865

IUPAC5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NC3CCCC(C(F)(F)F)C3)c2c1
InChIInChI=1S/C16H18F3N3O/c1-9-5-6-13-12(7-9)14(22-21-13)15(23)20-11-4-2-3-10(8-11)16(17,18)19/h5-7,10-11H,2-4,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyQIAKPHGYQFNAFO-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.72
Rot. Bonds2

About 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide

5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide (PubChem CID 78868865) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide
PubChem CID78868865
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NC3CCCC(C(F)(F)F)C3)c2c1
InChIInChI=1S/C16H18F3N3O/c1-9-5-6-13-12(7-9)14(22-21-13)15(23)20-11-4-2-3-10(8-11)16(17,18)19/h5-7,10-11H,2-4,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyQIAKPHGYQFNAFO-UHFFFAOYSA-N
XLogP3.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-5-methyl-1H-indazole-3-carboxamide
CID 56894877
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
5-amino-N-(3-methylcyclopentyl)-1H-indazole-3-carboxamide
CID 114542564
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 67273538
5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
CID 11659418
N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide
CID 64982870
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1H-indazole-3-carboxamide
CID 78868846
N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide
CID 113226189
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide (CID 78868865) is 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NC3CCCC(C(F)(F)F)C3)c2c1.
What is the InChIKey of 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide?
The InChIKey is QIAKPHGYQFNAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-9-5-6-13-12(7-9)14(22-21-13)15(23)20-11-4-2-3-10(8-11)16(17,18)19/h5-7,10-11H,2-4,8H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide?
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 78868865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).