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

C13H19N5 — CID 86775120

IUPAC3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole
SMILESCc1cc(C)n(C2CN(Cc3nccn3C)C2)n1
InChIInChI=1S/C13H19N5/c1-10-6-11(2)18(15-10)12-7-17(8-12)9-13-14-4-5-16(13)3/h4-6,12H,7-9H2,1-3H3
InChIKeyJPVFNUUQSHVGSF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.29
Rot. Bonds3

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

3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole (PubChem CID 86775120) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole
PubChem CID86775120
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole
SMILESCc1cc(C)n(C2CN(Cc3nccn3C)C2)n1
InChIInChI=1S/C13H19N5/c1-10-6-11(2)18(15-10)12-7-17(8-12)9-13-14-4-5-16(13)3/h4-6,12H,7-9H2,1-3H3
InChIKeyJPVFNUUQSHVGSF-UHFFFAOYSA-N
XLogP1.29
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole (CID 86775120) is 3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole is Cc1cc(C)n(C2CN(Cc3nccn3C)C2)n1.
What is the InChIKey of 3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole?
The InChIKey is JPVFNUUQSHVGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-6-11(2)18(15-10)12-7-17(8-12)9-13-14-4-5-16(13)3/h4-6,12H,7-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole?
3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole has a molecular weight of 245.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole is sourced from PubChem (CID 86775120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).