4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol

C12H19N3O2 — CID 126900426

IUPAC4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol
SMILESOC1(CN2CC(n3cccn3)C2)CCOCC1
InChIInChI=1S/C12H19N3O2/c16-12(2-6-17-7-3-12)10-14-8-11(9-14)15-5-1-4-13-15/h1,4-5,11,16H,2-3,6-10H2
InChIKeyJCKFDJCSUGDPON-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.28
Rot. Bonds3

About 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol

4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol (PubChem CID 126900426) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol
PubChem CID126900426
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol
SMILESOC1(CN2CC(n3cccn3)C2)CCOCC1
InChIInChI=1S/C12H19N3O2/c16-12(2-6-17-7-3-12)10-14-8-11(9-14)15-5-1-4-13-15/h1,4-5,11,16H,2-3,6-10H2
InChIKeyJCKFDJCSUGDPON-UHFFFAOYSA-N
XLogP0.28
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methylsulfonyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-3-ol
CID 126900428
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole
CID 126900374
4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine
CID 126946440
4-[[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]oxan-4-ol
CID 118739974
1-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 126946622
4-(imidazol-1-ylmethyl)oxan-4-ol
CID 126856777
2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126900260
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]oxan-3-ol
CID 126901590
1-spiro[4.5]decan-8-ylpyrazole
CID 142729641
4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol
CID 84734865
4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol
CID 124966407
3-[(3-tert-butylazetidin-1-yl)methyl]oxolan-3-ol
CID 106103014

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol?
The IUPAC name of 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol (CID 126900426) is 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol?
The canonical SMILES for 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol is OC1(CN2CC(n3cccn3)C2)CCOCC1.
What is the InChIKey of 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol?
The InChIKey is JCKFDJCSUGDPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-12(2-6-17-7-3-12)10-14-8-11(9-14)15-5-1-4-13-15/h1,4-5,11,16H,2-3,6-10H2.
What are the key properties of 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol?
4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol has a molecular weight of 237.30 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]oxan-4-ol is sourced from PubChem (CID 126900426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).