3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine

C17H31N3O — CID 43770858

IUPAC3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCC(C)c1nn(C)cc1CNCCCOC1CCCCC1
InChIInChI=1S/C17H31N3O/c1-14(2)17-15(13-20(3)19-17)12-18-10-7-11-21-16-8-5-4-6-9-16/h13-14,16,18H,4-12H2,1-3H3
InChIKeyDQISEQZWSHCUIH-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.37
Rot. Bonds8

About 3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine

3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 43770858) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID43770858
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCC(C)c1nn(C)cc1CNCCCOC1CCCCC1
InChIInChI=1S/C17H31N3O/c1-14(2)17-15(13-20(3)19-17)12-18-10-7-11-21-16-8-5-4-6-9-16/h13-14,16,18H,4-12H2,1-3H3
InChIKeyDQISEQZWSHCUIH-UHFFFAOYSA-N
XLogP3.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine (CID 43770858) is 3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine is CC(C)c1nn(C)cc1CNCCCOC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is DQISEQZWSHCUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14(2)17-15(13-20(3)19-17)12-18-10-7-11-21-16-8-5-4-6-9-16/h13-14,16,18H,4-12H2,1-3H3.
What are the key properties of 3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 43770858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).