trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C13H20F3N3 — CID 93275959

IUPACtrans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1n[nH]c(C)c1CN[C@@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C13H20F3N3/c1-8-12(9(2)19-18-8)7-17-11-5-3-4-10(6-11)13(14,15)16/h10-11,17H,3-7H2,1-2H3,(H,18,19)/t10-,11-/m1/s1
InChIKeyZKSAMAMMTQJPPQ-GHMZBOCLSA-N
MW275.32 g/mol
LogP3.24
Rot. Bonds3

About trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 93275959) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID93275959
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Nametrans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1n[nH]c(C)c1CN[C@@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C13H20F3N3/c1-8-12(9(2)19-18-8)7-17-11-5-3-4-10(6-11)13(14,15)16/h10-11,17H,3-7H2,1-2H3,(H,18,19)/t10-,11-/m1/s1
InChIKeyZKSAMAMMTQJPPQ-GHMZBOCLSA-N
XLogP3.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane
CID 71695369
(3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate
CID 139060191
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 50979543
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-(trifluoromethyl)cyclohexyl]urea
CID 71932031
(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 95225503
4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 97341670
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine
CID 126775333
trans-(1S,2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-fluorocyclohexan-1-amine
CID 164643080
3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 58617572
3-Propan-2-yl-5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118489263
3-Propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118489371
N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 130014986

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 93275959) is trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is Cc1n[nH]c(C)c1CN[C@@H]1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is ZKSAMAMMTQJPPQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-8-12(9(2)19-18-8)7-17-11-5-3-4-10(6-11)13(14,15)16/h10-11,17H,3-7H2,1-2H3,(H,18,19)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 275.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 93275959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).