3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole

C10H17N3 — CID 82882602

IUPAC3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole
SMILESCCC1(Cc2ccn(C)n2)CNC1
InChIInChI=1S/C10H17N3/c1-3-10(7-11-8-10)6-9-4-5-13(2)12-9/h4-5,11H,3,6-8H2,1-2H3
InChIKeyCGQLYPBFLYBKKB-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.96
Rot. Bonds3

About 3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole

3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole (PubChem CID 82882602) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole
PubChem CID82882602
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole
SMILESCCC1(Cc2ccn(C)n2)CNC1
InChIInChI=1S/C10H17N3/c1-3-10(7-11-8-10)6-9-4-5-13(2)12-9/h4-5,11H,3,6-8H2,1-2H3
InChIKeyCGQLYPBFLYBKKB-UHFFFAOYSA-N
XLogP0.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
CID 82882511
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 82872091
[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentyl]methanamine
CID 82871482
2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82871464
3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-amine
CID 82871072
4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 112745382
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 82869007
3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82868484
3-ethyl-1-methylpyrazole;propane
CID 170573719

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole?
The IUPAC name of 3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole (CID 82882602) is 3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole.
What is the SMILES notation for 3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole?
The canonical SMILES for 3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole is CCC1(Cc2ccn(C)n2)CNC1.
What is the InChIKey of 3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole?
The InChIKey is CGQLYPBFLYBKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-10(7-11-8-10)6-9-4-5-13(2)12-9/h4-5,11H,3,6-8H2,1-2H3.
What are the key properties of 3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole?
3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole has a molecular weight of 179.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole is sourced from PubChem (CID 82882602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).