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

C8H13N3O — CID 63282120

IUPAC1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
SMILESCn1cc(CN2CC(O)C2)cn1
InChIInChI=1S/C8H13N3O/c1-10-3-7(2-9-10)4-11-5-8(12)6-11/h2-3,8,12H,4-6H2,1H3
InChIKeyGFVJDNFXURRVSM-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.40
Rot. Bonds2

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

1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol (PubChem CID 63282120) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
PubChem CID63282120
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
SMILESCn1cc(CN2CC(O)C2)cn1
InChIInChI=1S/C8H13N3O/c1-10-3-7(2-9-10)4-11-5-8(12)6-11/h2-3,8,12H,4-6H2,1H3
InChIKeyGFVJDNFXURRVSM-UHFFFAOYSA-N
XLogP-0.40
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64616119
(3aR,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660803
4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63722146
3-chloro-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 131002547
4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 102936721
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
[4-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 114959813
4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine
CID 154830506
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549
(3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 175654918

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol (CID 63282120) is 1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol is Cn1cc(CN2CC(O)C2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol?
The InChIKey is GFVJDNFXURRVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-10-3-7(2-9-10)4-11-5-8(12)6-11/h2-3,8,12H,4-6H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol?
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol has a molecular weight of 167.21 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol is sourced from PubChem (CID 63282120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).