1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine

C17H31N3O — CID 116772099

IUPAC1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCCOC(C(N)Cc1ccn(C(C)C)n1)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-21-17(14-8-6-5-7-9-14)16(18)12-15-10-11-20(19-15)13(2)3/h10-11,13-14,16-17H,4-9,12,18H2,1-3H3
InChIKeyISZQVRPYGYDCBN-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.32
Rot. Bonds7

About 1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine

1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine (PubChem CID 116772099) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
PubChem CID116772099
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCCOC(C(N)Cc1ccn(C(C)C)n1)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-21-17(14-8-6-5-7-9-14)16(18)12-15-10-11-20(19-15)13(2)3/h10-11,13-14,16-17H,4-9,12,18H2,1-3H3
InChIKeyISZQVRPYGYDCBN-UHFFFAOYSA-N
XLogP3.32
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116772041
3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79617518
1-cyclohexyl-1-ethoxy-5-methylhexan-2-amine
CID 116771942
1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107051012
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991829
1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991709
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116771947
3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772044
3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772018
[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
CID 105255154

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine (CID 116772099) is 1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine is CCOC(C(N)Cc1ccn(C(C)C)n1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is ISZQVRPYGYDCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-21-17(14-8-6-5-7-9-14)16(18)12-15-10-11-20(19-15)13(2)3/h10-11,13-14,16-17H,4-9,12,18H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 116772099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).