1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine

C14H25N5 — CID 66201337

IUPAC1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)c(C)c1CN1CCN(C2CNC2)CC1
InChIInChI=1S/C14H25N5/c1-11-14(12(2)17(3)16-11)10-18-4-6-19(7-5-18)13-8-15-9-13/h13,15H,4-10H2,1-3H3
InChIKeyWCLAUIBCSXFVAC-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.13
Rot. Bonds3

About 1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine

1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 66201337) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
PubChem CID66201337
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(C)c(C)c1CN1CCN(C2CNC2)CC1
InChIInChI=1S/C14H25N5/c1-11-14(12(2)17(3)16-11)10-18-4-6-19(7-5-18)13-8-15-9-13/h13,15H,4-10H2,1-3H3
InChIKeyWCLAUIBCSXFVAC-UHFFFAOYSA-N
XLogP0.13
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 62404051
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 19623264
pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
CID 119903207
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole
CID 155139116
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 43162347
(6R)-1-(oxan-4-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,4-diazepane-6-carboxamide
CID 124977669
4-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]aniline;hydrochloride
CID 91654280
N-cyclopropyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 79238625
1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 66202514
3-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 66202944

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine (CID 66201337) is 1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine is Cc1nn(C)c(C)c1CN1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is WCLAUIBCSXFVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11-14(12(2)17(3)16-11)10-18-4-6-19(7-5-18)13-8-15-9-13/h13,15H,4-10H2,1-3H3.
What are the key properties of 1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine?
1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 263.39 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 66201337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).