N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C14H22F3N3O — CID 79568795

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCc1c(CNC2CCCC(OCC(F)(F)F)C2)cnn1C
InChIInChI=1S/C14H22F3N3O/c1-10-11(8-19-20(10)2)7-18-12-4-3-5-13(6-12)21-9-14(15,16)17/h8,12-13,18H,3-7,9H2,1-2H3
InChIKeyBSWNPRQNIPOMNG-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.71
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 79568795) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID79568795
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCc1c(CNC2CCCC(OCC(F)(F)F)C2)cnn1C
InChIInChI=1S/C14H22F3N3O/c1-10-11(8-19-20(10)2)7-18-12-4-3-5-13(6-12)21-9-14(15,16)17/h8,12-13,18H,3-7,9H2,1-2H3
InChIKeyBSWNPRQNIPOMNG-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,6-dimethyloxan-4-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
CID 152332438
2-[1-(2,6-dimethyloxan-4-yl)-5-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
CID 152508107
Ethane;4-methyl-1-(oxan-2-yl)-3-(trifluoromethyl)pyrazole
CID 153609446
N-[(1-methylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748959
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748994
N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748995
N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61792846
[5-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanamine
CID 64449803
[3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanamine
CID 64450221
N-[[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methyl]propan-2-amine
CID 64454784
2-methyl-N-[[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methyl]propan-1-amine
CID 64455004
N-[[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 64455192

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 79568795) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is Cc1c(CNC2CCCC(OCC(F)(F)F)C2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is BSWNPRQNIPOMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-10-11(8-19-20(10)2)7-18-12-4-3-5-13(6-12)21-9-14(15,16)17/h8,12-13,18H,3-7,9H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 79568795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).