[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol

C16H29N3O — CID 115892930

IUPAC[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESCc1nn(C)c(C)c1C(C)NCC1(CO)CCCCC1
InChIInChI=1S/C16H29N3O/c1-12(15-13(2)18-19(4)14(15)3)17-10-16(11-20)8-6-5-7-9-16/h12,17,20H,5-11H2,1-4H3
InChIKeyLSBVGSZOOKCRBH-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.63
Rot. Bonds5

About [1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol

[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 115892930) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is [1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID115892930
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESCc1nn(C)c(C)c1C(C)NCC1(CO)CCCCC1
InChIInChI=1S/C16H29N3O/c1-12(15-13(2)18-19(4)14(15)3)17-10-16(11-20)8-6-5-7-9-16/h12,17,20H,5-11H2,1-4H3
InChIKeyLSBVGSZOOKCRBH-UHFFFAOYSA-N
XLogP2.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol (CID 115892930) is [1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol is Cc1nn(C)c(C)c1C(C)NCC1(CO)CCCCC1.
What is the InChIKey of [1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is LSBVGSZOOKCRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(15-13(2)18-19(4)14(15)3)17-10-16(11-20)8-6-5-7-9-16/h12,17,20H,5-11H2,1-4H3.
What are the key properties of [1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 279.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 115892930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).