1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine

C14H24ClN5 — CID 66197341

IUPAC1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine
SMILESCCc1nn(C)c(CN2CC(N3CCNCC3)C2)c1Cl
InChIInChI=1S/C14H24ClN5/c1-3-12-14(15)13(18(2)17-12)10-19-8-11(9-19)20-6-4-16-5-7-20/h11,16H,3-10H2,1-2H3
InChIKeyYXOBIRRTDIYBMP-UHFFFAOYSA-N
MW297.83 g/mol
LogP0.73
Rot. Bonds4

About 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine

1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine (PubChem CID 66197341) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine
PubChem CID66197341
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Name1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine
SMILESCCc1nn(C)c(CN2CC(N3CCNCC3)C2)c1Cl
InChIInChI=1S/C14H24ClN5/c1-3-12-14(15)13(18(2)17-12)10-19-8-11(9-19)20-6-4-16-5-7-20/h11,16H,3-10H2,1-2H3
InChIKeyYXOBIRRTDIYBMP-UHFFFAOYSA-N
XLogP0.73
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 106672188
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314492
4-bromo-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 80680393
3-bromo-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 80679511
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylpiperidin-4-ol
CID 81115995
(3S)-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-3-ol
CID 107225981
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 80690615
[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935872
2-(bromomethyl)-4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholine
CID 102936921
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304990
5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243788
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-one
CID 114451690

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine (CID 66197341) is 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine is CCc1nn(C)c(CN2CC(N3CCNCC3)C2)c1Cl.
What is the InChIKey of 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine?
The InChIKey is YXOBIRRTDIYBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5/c1-3-12-14(15)13(18(2)17-12)10-19-8-11(9-19)20-6-4-16-5-7-20/h11,16H,3-10H2,1-2H3.
What are the key properties of 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine?
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine has a molecular weight of 297.83 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66197341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).