azetidin-3-yl-(1-methylpyrazol-4-yl)methanol

C8H13N3O — CID 130510223

IUPACazetidin-3-yl-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)C2CNC2)cn1
InChIInChI=1S/C8H13N3O/c1-11-5-7(4-10-11)8(12)6-2-9-3-6/h4-6,8-9,12H,2-3H2,1H3
InChIKeyMAPFPROCDOOTIM-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.33
Rot. Bonds2

About azetidin-3-yl-(1-methylpyrazol-4-yl)methanol

azetidin-3-yl-(1-methylpyrazol-4-yl)methanol (PubChem CID 130510223) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is azetidin-3-yl-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Nameazetidin-3-yl-(1-methylpyrazol-4-yl)methanol
PubChem CID130510223
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Nameazetidin-3-yl-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)C2CNC2)cn1
InChIInChI=1S/C8H13N3O/c1-11-5-7(4-10-11)8(12)6-2-9-3-6/h4-6,8-9,12H,2-3H2,1H3
InChIKeyMAPFPROCDOOTIM-UHFFFAOYSA-N
XLogP-0.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze azetidin-3-yl-(1-methylpyrazol-4-yl)methanol 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-methylpyrazol-4-yl)-(oxolan-3-yl)methanol
CID 61279320
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
1-(azetidin-3-yl)-4-[1-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 66201540
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566
2-cyclohexyl-1-(1-methylpyrazol-4-yl)ethanol
CID 61088408
(1R)-2,2,2-trichloro-1-(1-methylpyrazol-4-yl)ethanol
CID 95969833
(1S)-1-(1-methylpyrazol-4-yl)prop-2-yn-1-ol
CID 130563311
(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 65042279
1-adamantyl-(1-methylpyrazol-4-yl)methanol
CID 61088213
cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol
CID 63901804
(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol
CID 105080812
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of azetidin-3-yl-(1-methylpyrazol-4-yl)methanol (CID 130510223) is azetidin-3-yl-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for azetidin-3-yl-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for azetidin-3-yl-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)C2CNC2)cn1.
What is the InChIKey of azetidin-3-yl-(1-methylpyrazol-4-yl)methanol?
The InChIKey is MAPFPROCDOOTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-5-7(4-10-11)8(12)6-2-9-3-6/h4-6,8-9,12H,2-3H2,1H3.
What are the key properties of azetidin-3-yl-(1-methylpyrazol-4-yl)methanol?
azetidin-3-yl-(1-methylpyrazol-4-yl)methanol has a molecular weight of 167.21 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 130510223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).