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

C10H17N3 — CID 79452025

IUPAC1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole
SMILESCCn1cc(CC2(C)CNC2)cn1
InChIInChI=1S/C10H17N3/c1-3-13-6-9(5-12-13)4-10(2)7-11-8-10/h5-6,11H,3-4,7-8H2,1-2H3
InChIKeySAFRRSOTDHMINP-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.05
Rot. Bonds3

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

1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole (PubChem CID 79452025) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole
PubChem CID79452025
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole
SMILESCCn1cc(CC2(C)CNC2)cn1
InChIInChI=1S/C10H17N3/c1-3-13-6-9(5-12-13)4-10(2)7-11-8-10/h5-6,11H,3-4,7-8H2,1-2H3
InChIKeySAFRRSOTDHMINP-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole
CID 79452458
4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole
CID 79460191
1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083823
1,4-diethylpyrazole;ethane
CID 143641951
3-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63585891
1-(1-ethylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957579
1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753080
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024888
2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane
CID 79117010
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
2-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-2,5-dimethylpiperazine
CID 64844969

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole?
The IUPAC name of 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole (CID 79452025) is 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole.
What is the SMILES notation for 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole?
The canonical SMILES for 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole is CCn1cc(CC2(C)CNC2)cn1.
What is the InChIKey of 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole?
The InChIKey is SAFRRSOTDHMINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-13-6-9(5-12-13)4-10(2)7-11-8-10/h5-6,11H,3-4,7-8H2,1-2H3.
What are the key properties of 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole?
1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole is sourced from PubChem (CID 79452025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).