1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine

C18H25N3 — CID 104747547

IUPAC1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine
SMILESCNC(Cn1cc(-c2ccccc2)cn1)C1CCCCC1
InChIInChI=1S/C18H25N3/c1-19-18(16-10-6-3-7-11-16)14-21-13-17(12-20-21)15-8-4-2-5-9-15/h2,4-5,8-9,12-13,16,18-19H,3,6-7,10-11,14H2,1H3
InChIKeyDWHFKUMMRDVYPE-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.72
Rot. Bonds5

About 1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine

1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine (PubChem CID 104747547) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine
PubChem CID104747547
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine
SMILESCNC(Cn1cc(-c2ccccc2)cn1)C1CCCCC1
InChIInChI=1S/C18H25N3/c1-19-18(16-10-6-3-7-11-16)14-21-13-17(12-20-21)15-8-4-2-5-9-15/h2,4-5,8-9,12-13,16,18-19H,3,6-7,10-11,14H2,1H3
InChIKeyDWHFKUMMRDVYPE-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine (CID 104747547) is 1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine is CNC(Cn1cc(-c2ccccc2)cn1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine?
The InChIKey is DWHFKUMMRDVYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-19-18(16-10-6-3-7-11-16)14-21-13-17(12-20-21)15-8-4-2-5-9-15/h2,4-5,8-9,12-13,16,18-19H,3,6-7,10-11,14H2,1H3.
What are the key properties of 1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine?
1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-2-(4-phenylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 104747547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).