trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C16H18F3N3O — CID 95259732

IUPACtrans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c2[nH]ncc12
InChIInChI=1S/C16H18F3N3O/c1-9-6-7-13(14-11(9)8-20-22-14)21-15(23)10-4-2-3-5-12(10)16(17,18)19/h6-8,10,12H,2-5H2,1H3,(H,20,22)(H,21,23)/t10-,12-/m0/s1
InChIKeyCDECAKKJKJNOBU-JQWIXIFHSA-N
MW325.33 g/mol
LogP4.18
Rot. Bonds2

About trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 95259732) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID95259732
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Nametrans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c2[nH]ncc12
InChIInChI=1S/C16H18F3N3O/c1-9-6-7-13(14-11(9)8-20-22-14)21-15(23)10-4-2-3-5-12(10)16(17,18)19/h6-8,10,12H,2-5H2,1H3,(H,20,22)(H,21,23)/t10-,12-/m0/s1
InChIKeyCDECAKKJKJNOBU-JQWIXIFHSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methyl-1H-indazol-7-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119307375
2-cyclopropyl-N-(4-methyl-1H-indazol-7-yl)acetamide
CID 166191921
N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583701
(3R,4S)-N-(4-methyl-1H-indazol-7-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120928515
N-(2,6-difluoro-3-pyridinyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097944
N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622450
4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122080014
N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47244785
N-(4-bromo-3-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583700
N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 87002288
N-[2-(chloromethyl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622765
N-[2-[[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 99782382

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 95259732) is trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c2[nH]ncc12.
What is the InChIKey of trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is CDECAKKJKJNOBU-JQWIXIFHSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-9-6-7-13(14-11(9)8-20-22-14)21-15(23)10-4-2-3-5-12(10)16(17,18)19/h6-8,10,12H,2-5H2,1H3,(H,20,22)(H,21,23)/t10-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 95259732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).