3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol

C10H17N3O — CID 103014043

IUPAC3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
SMILESCn1cc(CCN2CC(C)(O)C2)cn1
InChIInChI=1S/C10H17N3O/c1-10(14)7-13(8-10)4-3-9-5-11-12(2)6-9/h5-6,14H,3-4,7-8H2,1-2H3
InChIKeyKJDMFPVYVMJUDI-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.03
Rot. Bonds3

About 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol

3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol (PubChem CID 103014043) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
PubChem CID103014043
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
SMILESCn1cc(CCN2CC(C)(O)C2)cn1
InChIInChI=1S/C10H17N3O/c1-10(14)7-13(8-10)4-3-9-5-11-12(2)6-9/h5-6,14H,3-4,7-8H2,1-2H3
InChIKeyKJDMFPVYVMJUDI-UHFFFAOYSA-N
XLogP0.03
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine
CID 103015435
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103006388
N'-hydroxy-4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboximidamide
CID 107161850
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
3-cyclopropyl-3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 103016188
1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
CID 103005851
3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006532
4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 103015270
1-methyl-4-propylpyrazole;propane
CID 155742221
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol
CID 103006433

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol?
The IUPAC name of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol (CID 103014043) is 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol.
What is the SMILES notation for 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol?
The canonical SMILES for 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol is Cn1cc(CCN2CC(C)(O)C2)cn1.
What is the InChIKey of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol?
The InChIKey is KJDMFPVYVMJUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(14)7-13(8-10)4-3-9-5-11-12(2)6-9/h5-6,14H,3-4,7-8H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol?
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol has a molecular weight of 195.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol is sourced from PubChem (CID 103014043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).