1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole

C12H21N3 — CID 79452458

IUPAC1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole
SMILESCCCC1(Cc2cnn(CC)c2)CNC1
InChIInChI=1S/C12H21N3/c1-3-5-12(9-13-10-12)6-11-7-14-15(4-2)8-11/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyGZIKLHGNOBMWRI-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.84
Rot. Bonds5

About 1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole

1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole (PubChem CID 79452458) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole
PubChem CID79452458
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole
SMILESCCCC1(Cc2cnn(CC)c2)CNC1
InChIInChI=1S/C12H21N3/c1-3-5-12(9-13-10-12)6-11-7-14-15(4-2)8-11/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyGZIKLHGNOBMWRI-UHFFFAOYSA-N
XLogP1.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole
CID 79452025
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024888
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929
4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole
CID 79460191
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
3-[(4-methylphenyl)methyl]-3-propylazetidine
CID 79451840
2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569829
1,4-diethylpyrazole;ethane
CID 143641951
3-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63585891
1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
CID 79451734
N-[[4-[(1-ethylpyrazol-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62904878
4-[(1-ethylpyrazol-4-yl)methyl]-1-propylazepan-4-ol
CID 65077667

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole?
The IUPAC name of 1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole (CID 79452458) is 1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole.
What is the SMILES notation for 1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole?
The canonical SMILES for 1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole is CCCC1(Cc2cnn(CC)c2)CNC1.
What is the InChIKey of 1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole?
The InChIKey is GZIKLHGNOBMWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-5-12(9-13-10-12)6-11-7-14-15(4-2)8-11/h7-8,13H,3-6,9-10H2,1-2H3.
What are the key properties of 1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole?
1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole has a molecular weight of 207.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole is sourced from PubChem (CID 79452458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).