3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole

C16H23N3O — CID 77088978

IUPAC3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole
SMILESCCCc1ccc(CN2CC(n3nc(C)cc3C)C2)o1
InChIInChI=1S/C16H23N3O/c1-4-5-15-6-7-16(20-15)11-18-9-14(10-18)19-13(3)8-12(2)17-19/h6-8,14H,4-5,9-11H2,1-3H3
InChIKeyHTRHAVLLEBLDEJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.10
Rot. Bonds5

About 3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole

3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole (PubChem CID 77088978) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole
PubChem CID77088978
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole
SMILESCCCc1ccc(CN2CC(n3nc(C)cc3C)C2)o1
InChIInChI=1S/C16H23N3O/c1-4-5-15-6-7-16(20-15)11-18-9-14(10-18)19-13(3)8-12(2)17-19/h6-8,14H,4-5,9-11H2,1-3H3
InChIKeyHTRHAVLLEBLDEJ-UHFFFAOYSA-N
XLogP3.10
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]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

2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 56781724
2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
CID 91831848
2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine
CID 56905779
3,5-dimethyl-1-[1-(2-thiophen-2-ylethyl)azetidin-3-yl]pyrazole
CID 56781747
3-[5-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
CID 95129613
3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole
CID 86775120
4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole
CID 77085597
1-[4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 74231000
4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 56781796
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 70761131
3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine
CID 77092593
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 72840432

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole (CID 77088978) is 3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole is CCCc1ccc(CN2CC(n3nc(C)cc3C)C2)o1.
What is the InChIKey of 3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole?
The InChIKey is HTRHAVLLEBLDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-5-15-6-7-16(20-15)11-18-9-14(10-18)19-13(3)8-12(2)17-19/h6-8,14H,4-5,9-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole?
3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole has a molecular weight of 273.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole is sourced from PubChem (CID 77088978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).