5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole

C10H15ClN2O2 — CID 117231984

IUPAC5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole
SMILESCOc1cnn(CC2CCOCC2)c1Cl
InChIInChI=1S/C10H15ClN2O2/c1-14-9-6-12-13(10(9)11)7-8-2-4-15-5-3-8/h6,8H,2-5,7H2,1H3
InChIKeyOICUVKMVNSFXTE-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.97
Rot. Bonds3

About 5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole

5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole (PubChem CID 117231984) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole
PubChem CID117231984
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole
SMILESCOc1cnn(CC2CCOCC2)c1Cl
InChIInChI=1S/C10H15ClN2O2/c1-14-9-6-12-13(10(9)11)7-8-2-4-15-5-3-8/h6,8H,2-5,7H2,1H3
InChIKeyOICUVKMVNSFXTE-UHFFFAOYSA-N
XLogP1.97
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 154785256
4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethyl]morpholine
CID 117233214
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole
CID 117232356
5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole
CID 117231713
5-methyl-4-nitro-1-(oxan-4-ylmethyl)pyrazole
CID 153281740
6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine
CID 58771940
1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 134828426
4-(1-chloropropyl)-1-(oxan-4-ylmethyl)pyrazole
CID 62729493
5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol
CID 117232364
4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine
CID 62387049

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole?
The IUPAC name of 5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole (CID 117231984) is 5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole.
What is the SMILES notation for 5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole?
The canonical SMILES for 5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole is COc1cnn(CC2CCOCC2)c1Cl.
What is the InChIKey of 5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole?
The InChIKey is OICUVKMVNSFXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-14-9-6-12-13(10(9)11)7-8-2-4-15-5-3-8/h6,8H,2-5,7H2,1H3.
What are the key properties of 5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole?
5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole has a molecular weight of 230.69 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole is sourced from PubChem (CID 117231984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).