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

C15H27N3O — CID 112550364

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCc1nn(C)cc1CNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H27N3O/c1-7-12-11(10-18(6)17-12)9-16-13-8-14(2,3)19-15(13,4)5/h10,13,16H,7-9H2,1-6H3
InChIKeyLIBBVLBSGRACPI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.42
Rot. Bonds4

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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 112550364) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID112550364
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCc1nn(C)cc1CNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H27N3O/c1-7-12-11(10-18(6)17-12)9-16-13-8-14(2,3)19-15(13,4)5/h10,13,16H,7-9H2,1-6H3
InChIKeyLIBBVLBSGRACPI-UHFFFAOYSA-N
XLogP2.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 112639955
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662742
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 112669088
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine
CID 112549466
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
CID 112668716
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine
CID 115885885
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine
CID 112668397
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
CID 115885655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 112668439

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 112550364) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is CCc1nn(C)cc1CNC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is LIBBVLBSGRACPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-7-12-11(10-18(6)17-12)9-16-13-8-14(2,3)19-15(13,4)5/h10,13,16H,7-9H2,1-6H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 265.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 112550364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).