2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine

C16H27N3O — CID 104860921

IUPAC2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine
SMILESCNCC(=Cc1c(C)nn(C)c1OC)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-12-15(16(20-4)19(3)18-12)10-14(11-17-2)13-8-6-5-7-9-13/h10,13,17H,5-9,11H2,1-4H3
InChIKeyCRYITECXTJMZIW-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.92
Rot. Bonds5

About 2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine

2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine (PubChem CID 104860921) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine
PubChem CID104860921
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine
SMILESCNCC(=Cc1c(C)nn(C)c1OC)C1CCCCC1
InChIInChI=1S/C16H27N3O/c1-12-15(16(20-4)19(3)18-12)10-14(11-17-2)13-8-6-5-7-9-13/h10,13,17H,5-9,11H2,1-4H3
InChIKeyCRYITECXTJMZIW-UHFFFAOYSA-N
XLogP2.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N,3-dimethylbutan-1-amine
CID 104860915
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 104860914
[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylideneamino]thiourea
CID 104860902
(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860862
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 110011506
5-methoxy-1,3-dimethylpyrazole-4-carbothioamide
CID 63756722
1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine
CID 110061776
3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 115600762
N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110061873
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 115600691
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)piperidine
CID 131382411
(2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 97158804

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine (CID 104860921) is 2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine is CNCC(=Cc1c(C)nn(C)c1OC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine?
The InChIKey is CRYITECXTJMZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-15(16(20-4)19(3)18-12)10-14(11-17-2)13-8-6-5-7-9-13/h10,13,17H,5-9,11H2,1-4H3.
What are the key properties of 2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine?
2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 104860921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).