1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole

C12H19N3O — CID 126900374

IUPAC1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole
SMILESc1cnn(C2CN(CC3CCOCC3)C2)c1
InChIInChI=1S/C12H19N3O/c1-4-13-15(5-1)12-9-14(10-12)8-11-2-6-16-7-3-11/h1,4-5,11-12H,2-3,6-10H2
InChIKeyDWHQXNVLPOVIIT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.17
Rot. Bonds3

About 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole

1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole (PubChem CID 126900374) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole.

Molecular Properties

Compound Name1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole
PubChem CID126900374
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole
SMILESc1cnn(C2CN(CC3CCOCC3)C2)c1
InChIInChI=1S/C12H19N3O/c1-4-13-15(5-1)12-9-14(10-12)8-11-2-6-16-7-3-11/h1,4-5,11-12H,2-3,6-10H2
InChIKeyDWHQXNVLPOVIIT-UHFFFAOYSA-N
XLogP1.17
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 126946622
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]triazole
CID 121183831
4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide
CID 126900371
4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine
CID 126946440
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900794
4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol
CID 126900426
(3aR,5R,6R,7aS)-2-(1,4-dioxepan-6-ylmethyl)-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172665369
1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 126900346
1-(1-cyclobutylazetidin-3-yl)pyrazole
CID 131134144
1-[2-(oxan-4-yl)ethyl]pyrazole
CID 131203572
2-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126946513
4-(oxan-4-ylmethyl)morpholine
CID 122244931

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole?
The IUPAC name of 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole (CID 126900374) is 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole.
What is the SMILES notation for 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole?
The canonical SMILES for 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole is c1cnn(C2CN(CC3CCOCC3)C2)c1.
What is the InChIKey of 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole?
The InChIKey is DWHQXNVLPOVIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-13-15(5-1)12-9-14(10-12)8-11-2-6-16-7-3-11/h1,4-5,11-12H,2-3,6-10H2.
What are the key properties of 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole?
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole has a molecular weight of 221.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole is sourced from PubChem (CID 126900374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).