[4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine

C16H29N3O — CID 65052354

IUPAC[4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine
SMILESCCC1CCC(CN)(OCc2ccn(C(C)C)n2)CC1
InChIInChI=1S/C16H29N3O/c1-4-14-5-8-16(12-17,9-6-14)20-11-15-7-10-19(18-15)13(2)3/h7,10,13-14H,4-6,8-9,11-12,17H2,1-3H3
InChIKeyYXACEWRDKAEYJG-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.28
Rot. Bonds6

About [4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine

[4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine (PubChem CID 65052354) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is [4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine
PubChem CID65052354
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name[4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine
SMILESCCC1CCC(CN)(OCc2ccn(C(C)C)n2)CC1
InChIInChI=1S/C16H29N3O/c1-4-14-5-8-16(12-17,9-6-14)20-11-15-7-10-19(18-15)13(2)3/h7,10,13-14H,4-6,8-9,11-12,17H2,1-3H3
InChIKeyYXACEWRDKAEYJG-UHFFFAOYSA-N
XLogP3.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine (CID 65052354) is [4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine is CCC1CCC(CN)(OCc2ccn(C(C)C)n2)CC1.
What is the InChIKey of [4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine?
The InChIKey is YXACEWRDKAEYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-14-5-8-16(12-17,9-6-14)20-11-15-7-10-19(18-15)13(2)3/h7,10,13-14H,4-6,8-9,11-12,17H2,1-3H3.
What are the key properties of [4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine?
[4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine has a molecular weight of 279.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine is sourced from PubChem (CID 65052354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).