[3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol

C9H13ClN2O2 — CID 130965407

IUPAC[3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol
SMILESCc1c(Cl)cnn1CC1(CO)COC1
InChIInChI=1S/C9H13ClN2O2/c1-7-8(10)2-11-12(7)3-9(4-13)5-14-6-9/h2,13H,3-6H2,1H3
InChIKeyGLCXBRBVALDRBA-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.85
Rot. Bonds3

About [3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol

[3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol (PubChem CID 130965407) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is [3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol
PubChem CID130965407
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name[3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol
SMILESCc1c(Cl)cnn1CC1(CO)COC1
InChIInChI=1S/C9H13ClN2O2/c1-7-8(10)2-11-12(7)3-9(4-13)5-14-6-9/h2,13H,3-6H2,1H3
InChIKeyGLCXBRBVALDRBA-UHFFFAOYSA-N
XLogP0.85
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol (CID 130965407) is [3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol is Cc1c(Cl)cnn1CC1(CO)COC1.
What is the InChIKey of [3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is GLCXBRBVALDRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-7-8(10)2-11-12(7)3-9(4-13)5-14-6-9/h2,13H,3-6H2,1H3.
What are the key properties of [3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol?
[3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 216.67 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-5-methylpyrazol-1-yl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 130965407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).