(1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone

C18H30N4O2 — CID 91909804

IUPAC(1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC(N(CC(C)C)C3CCOCC3)C2)nn1C
InChIInChI=1S/C18H30N4O2/c1-13(2)10-22(15-5-7-24-8-6-15)16-11-21(12-16)18(23)17-9-14(3)20(4)19-17/h9,13,15-16H,5-8,10-12H2,1-4H3
InChIKeyBSIHQQMFAHNUHP-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.69
Rot. Bonds5

About (1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone (PubChem CID 91909804) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone
PubChem CID91909804
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC(N(CC(C)C)C3CCOCC3)C2)nn1C
InChIInChI=1S/C18H30N4O2/c1-13(2)10-22(15-5-7-24-8-6-15)16-11-21(12-16)18(23)17-9-14(3)20(4)19-17/h9,13,15-16H,5-8,10-12H2,1-4H3
InChIKeyBSIHQQMFAHNUHP-UHFFFAOYSA-N
XLogP1.69
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone (CID 91909804) is (1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone is Cc1cc(C(=O)N2CC(N(CC(C)C)C3CCOCC3)C2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone?
The InChIKey is BSIHQQMFAHNUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(2)10-22(15-5-7-24-8-6-15)16-11-21(12-16)18(23)17-9-14(3)20(4)19-17/h9,13,15-16H,5-8,10-12H2,1-4H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone has a molecular weight of 334.46 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone is sourced from PubChem (CID 91909804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).