4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol

C10H15ClN2O2 — CID 114635799

IUPAC4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol
SMILESCC1CC(O)(c2c(Cl)cnn2C)CCO1
InChIInChI=1S/C10H15ClN2O2/c1-7-5-10(14,3-4-15-7)9-8(11)6-12-13(9)2/h6-7,14H,3-5H2,1-2H3
InChIKeyIVZDXCTZHVTSSR-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.46
Rot. Bonds1

About 4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol

4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol (PubChem CID 114635799) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol.

Molecular Properties

Compound Name4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol
PubChem CID114635799
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol
SMILESCC1CC(O)(c2c(Cl)cnn2C)CCO1
InChIInChI=1S/C10H15ClN2O2/c1-7-5-10(14,3-4-15-7)9-8(11)6-12-13(9)2/h6-7,14H,3-5H2,1-2H3
InChIKeyIVZDXCTZHVTSSR-UHFFFAOYSA-N
XLogP1.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol
CID 114636259
1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol
CID 114633841
1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114636111
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol
CID 114635824
3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol
CID 114637906
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylthian-3-ol
CID 114636867
2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol
CID 164648675
4-chloro-5-(3-chloro-1-methylcyclopentyl)-1-methylpyrazole
CID 114665719
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethyloxan-4-ol
CID 114635852
1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylcyclopentan-1-ol
CID 114635969
4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol
CID 114637377
2-methyl-4-thiophen-3-yloxan-4-ol
CID 18996129

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol?
The IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol (CID 114635799) is 4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol.
What is the SMILES notation for 4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol?
The canonical SMILES for 4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol is CC1CC(O)(c2c(Cl)cnn2C)CCO1.
What is the InChIKey of 4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol?
The InChIKey is IVZDXCTZHVTSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-7-5-10(14,3-4-15-7)9-8(11)6-12-13(9)2/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol?
4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol has a molecular weight of 230.69 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol is sourced from PubChem (CID 114635799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).