N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine

C17H31N3O2 — CID 75382940

IUPACN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOCCn1nc(C)c(CNC2CC(C)(C)OC2(C)C)c1C
InChIInChI=1S/C17H31N3O2/c1-12-14(13(2)20(19-12)8-9-21-7)11-18-15-10-16(3,4)22-17(15,5)6/h15,18H,8-11H2,1-7H3
InChIKeyWFBFUTVVCFKWGF-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.58
Rot. Bonds6

About N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 75382940) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID75382940
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCOCCn1nc(C)c(CNC2CC(C)(C)OC2(C)C)c1C
InChIInChI=1S/C17H31N3O2/c1-12-14(13(2)20(19-12)8-9-21-7)11-18-15-10-16(3,4)22-17(15,5)6/h15,18H,8-11H2,1-7H3
InChIKeyWFBFUTVVCFKWGF-UHFFFAOYSA-N
XLogP2.58
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine with MolForge

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Related Compounds

2,2-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropane-1-carboxamide
CID 86846937
1-[(2R,6R)-2,6-dimethylcyclohexyl]-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea
CID 96569239
N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106455227
N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55110647
2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine
CID 133299001
(3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 97230209
4-[[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105311
4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide
CID 86850984
N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62732261
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine
CID 133299000
N-[[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 60925347
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 112550364

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 75382940) is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is COCCn1nc(C)c(CNC2CC(C)(C)OC2(C)C)c1C.
What is the InChIKey of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is WFBFUTVVCFKWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-12-14(13(2)20(19-12)8-9-21-7)11-18-15-10-16(3,4)22-17(15,5)6/h15,18H,8-11H2,1-7H3.
What are the key properties of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 309.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 75382940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).