N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine

C15H27N3O — CID 104705178

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOc1c(CNC2CC(C)CC(C)C2)c(C)nn1C
InChIInChI=1S/C15H27N3O/c1-10-6-11(2)8-13(7-10)16-9-14-12(3)17-18(4)15(14)19-5/h10-11,13,16H,6-9H2,1-5H3
InChIKeyBLRHGYMGXMRHJI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.65
Rot. Bonds4

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 104705178) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID104705178
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOc1c(CNC2CC(C)CC(C)C2)c(C)nn1C
InChIInChI=1S/C15H27N3O/c1-10-6-11(2)8-13(7-10)16-9-14-12(3)17-18(4)15(14)19-5/h10-11,13,16H,6-9H2,1-5H3
InChIKeyBLRHGYMGXMRHJI-UHFFFAOYSA-N
XLogP2.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 115600762
(1R,2R,3S)-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-pyrazol-1-ylcyclobutan-1-ol
CID 167871476
(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860862
1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 51105415
(4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one
CID 94824770
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 115600656
4-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]benzonitrile
CID 51105404
3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one
CID 113229761
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 94822388
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120972154
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 104705178) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine is COc1c(CNC2CC(C)CC(C)C2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is BLRHGYMGXMRHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10-6-11(2)8-13(7-10)16-9-14-12(3)17-18(4)15(14)19-5/h10-11,13,16H,6-9H2,1-5H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 104705178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).