4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol

C12H18F3N3O — CID 131963748

IUPAC4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol
SMILESCn1ncc(C(F)(F)F)c1CNC1CCC(O)CC1
InChIInChI=1S/C12H18F3N3O/c1-18-11(10(6-17-18)12(13,14)15)7-16-8-2-4-9(19)5-3-8/h6,8-9,16,19H,2-5,7H2,1H3
InChIKeyNQWBAKKGFONQKW-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.83
Rot. Bonds3

About 4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol

4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol (PubChem CID 131963748) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol
PubChem CID131963748
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol
SMILESCn1ncc(C(F)(F)F)c1CNC1CCC(O)CC1
InChIInChI=1S/C12H18F3N3O/c1-18-11(10(6-17-18)12(13,14)15)7-16-8-2-4-9(19)5-3-8/h6,8-9,16,19H,2-5,7H2,1H3
InChIKeyNQWBAKKGFONQKW-UHFFFAOYSA-N
XLogP1.83
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine
CID 162349089
4-[4-Amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 169120248
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 79568795
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 81867700
2-[Methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]cyclohexan-1-ol
CID 109849282
4-(difluoromethyl)-N-(4-hydroxycyclohexyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 109893997
1-[1-[[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 112229230
[1-[[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]methylamino]cyclopentyl]methanol
CID 112386022
1-Ethyl-3-(4-hydroxycyclohexyl)-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine;hydroiodide
CID 112396232
1-Ethyl-3-(4-hydroxycyclohexyl)-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine
CID 112396233
1-(4-Hydroxycyclohexyl)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]urea
CID 112435614
4-({[1-(2,2-difluoroethyl)-5-methyl-1H-pyrazol-4-yl]methyl}amino)butan-1-ol
CID 122166285

Frequently Asked Questions

What is the IUPAC name of 4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol (CID 131963748) is 4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol is Cn1ncc(C(F)(F)F)c1CNC1CCC(O)CC1.
What is the InChIKey of 4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol?
The InChIKey is NQWBAKKGFONQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-18-11(10(6-17-18)12(13,14)15)7-16-8-2-4-9(19)5-3-8/h6,8-9,16,19H,2-5,7H2,1H3.
What are the key properties of 4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol?
4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol has a molecular weight of 277.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 131963748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).