1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole

C12H21N3 — CID 82882511

IUPAC1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
SMILESCC(C)CC1(Cc2ccn(C)n2)CNC1
InChIInChI=1S/C12H21N3/c1-10(2)6-12(8-13-9-12)7-11-4-5-15(3)14-11/h4-5,10,13H,6-9H2,1-3H3
InChIKeySEDDEMWXPFXWFN-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.60
Rot. Bonds4

About 1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole

1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole (PubChem CID 82882511) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
PubChem CID82882511
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
SMILESCC(C)CC1(Cc2ccn(C)n2)CNC1
InChIInChI=1S/C12H21N3/c1-10(2)6-12(8-13-9-12)7-11-4-5-15(3)14-11/h4-5,10,13H,6-9H2,1-3H3
InChIKeySEDDEMWXPFXWFN-UHFFFAOYSA-N
XLogP1.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole
CID 82882602
1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole
CID 107058600
1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 82878266
2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine
CID 82872012
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 82872091
1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole
CID 79452651
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82870890
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
1-ethyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole
CID 79451834
3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine
CID 79452141

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole?
The IUPAC name of 1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole (CID 82882511) is 1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole.
What is the SMILES notation for 1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole?
The canonical SMILES for 1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole is CC(C)CC1(Cc2ccn(C)n2)CNC1.
What is the InChIKey of 1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole?
The InChIKey is SEDDEMWXPFXWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)6-12(8-13-9-12)7-11-4-5-15(3)14-11/h4-5,10,13H,6-9H2,1-3H3.
What are the key properties of 1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole?
1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole has a molecular weight of 207.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole is sourced from PubChem (CID 82882511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).