1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole

C12H21N3 — CID 79451734

IUPAC1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
SMILESCC(C)CC1(Cc2cnn(C)c2)CNC1
InChIInChI=1S/C12H21N3/c1-10(2)4-12(8-13-9-12)5-11-6-14-15(3)7-11/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyGRXMOHXTLJPSNL-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.60
Rot. Bonds4

About 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole

1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole (PubChem CID 79451734) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
PubChem CID79451734
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
SMILESCC(C)CC1(Cc2cnn(C)c2)CNC1
InChIInChI=1S/C12H21N3/c1-10(2)4-12(8-13-9-12)5-11-6-14-15(3)7-11/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyGRXMOHXTLJPSNL-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

Analyze 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole
CID 107058600
1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole
CID 79452651
1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
CID 82882511
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194443
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103001679
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55106549
1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole
CID 79451774
4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole
CID 66033317
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62723772
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 66035579
1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole
CID 79452458

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole?
The IUPAC name of 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole (CID 79451734) is 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole?
The canonical SMILES for 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole is CC(C)CC1(Cc2cnn(C)c2)CNC1.
What is the InChIKey of 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole?
The InChIKey is GRXMOHXTLJPSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)4-12(8-13-9-12)5-11-6-14-15(3)7-11/h6-7,10,13H,4-5,8-9H2,1-3H3.
What are the key properties of 1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole?
1-methyl-4-[[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-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole is sourced from PubChem (CID 79451734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).