N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine

C17H29N3O — CID 64778892

IUPACN-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2ccn(C3CCCCC3)n2)CCOC1
InChIInChI=1S/C17H29N3O/c1-2-18-13-17(9-11-21-14-17)12-15-8-10-20(19-15)16-6-4-3-5-7-16/h8,10,16,18H,2-7,9,11-14H2,1H3
InChIKeySCGDJTGPRVEXMO-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.95
Rot. Bonds6

About N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine

N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 64778892) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID64778892
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2ccn(C3CCCCC3)n2)CCOC1
InChIInChI=1S/C17H29N3O/c1-2-18-13-17(9-11-21-14-17)12-15-8-10-20(19-15)16-6-4-3-5-7-16/h8,10,16,18H,2-7,9,11-14H2,1H3
InChIKeySCGDJTGPRVEXMO-UHFFFAOYSA-N
XLogP2.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66026217
3-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-cyclohexylpyrazole
CID 66050961
[3-[(1-cyclopentylpyrazol-3-yl)methyl]oxan-3-yl]methanol
CID 66057982
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
CID 66035324
N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 64771405
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
1-cyclohexyl-3-ethylpyrazole
CID 66014335
[1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine
CID 65394733
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine
CID 64799126
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine (CID 64778892) is N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(Cc2ccn(C3CCCCC3)n2)CCOC1.
What is the InChIKey of N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is SCGDJTGPRVEXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-18-13-17(9-11-21-14-17)12-15-8-10-20(19-15)16-6-4-3-5-7-16/h8,10,16,18H,2-7,9,11-14H2,1H3.
What are the key properties of N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 64778892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).