N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine

C12H21N3O — CID 115885885

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine
SMILESCCc1nn(C)cc1CNC1(C)CCOC1
InChIInChI=1S/C12H21N3O/c1-4-11-10(8-15(3)14-11)7-13-12(2)5-6-16-9-12/h8,13H,4-7,9H2,1-3H3
InChIKeyRDRJTWGKKKXNTK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine (PubChem CID 115885885) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine
PubChem CID115885885
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine
SMILESCCc1nn(C)cc1CNC1(C)CCOC1
InChIInChI=1S/C12H21N3O/c1-4-11-10(8-15(3)14-11)7-13-12(2)5-6-16-9-12/h8,13H,4-7,9H2,1-3H3
InChIKeyRDRJTWGKKKXNTK-UHFFFAOYSA-N
XLogP1.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine
CID 112549466
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
CID 113491027
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 103991912
[1-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 112669129
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 112550364
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 112669088
3-methyl-N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]oxolan-3-amine
CID 115768675
1-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105414949
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662742
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
CID 112672097
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113347464

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine (CID 115885885) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine is CCc1nn(C)cc1CNC1(C)CCOC1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine?
The InChIKey is RDRJTWGKKKXNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-11-10(8-15(3)14-11)7-13-12(2)5-6-16-9-12/h8,13H,4-7,9H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyloxolan-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.25, 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]-3-methyloxolan-3-amine is sourced from PubChem (CID 115885885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).