5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole

C15H24ClN3O — CID 117231920

IUPAC5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole
SMILESCN1CCC(Cn2ncc(OC3CCCCC3)c2Cl)C1
InChIInChI=1S/C15H24ClN3O/c1-18-8-7-12(10-18)11-19-15(16)14(9-17-19)20-13-5-3-2-4-6-13/h9,12-13H,2-8,10-11H2,1H3
InChIKeyQWWAEPVICWKSRT-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.20
Rot. Bonds4

About 5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole

5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole (PubChem CID 117231920) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole.

Molecular Properties

Compound Name5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole
PubChem CID117231920
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole
SMILESCN1CCC(Cn2ncc(OC3CCCCC3)c2Cl)C1
InChIInChI=1S/C15H24ClN3O/c1-18-8-7-12(10-18)11-19-15(16)14(9-17-19)20-13-5-3-2-4-6-13/h9,12-13H,2-8,10-11H2,1H3
InChIKeyQWWAEPVICWKSRT-UHFFFAOYSA-N
XLogP3.20
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole?
The IUPAC name of 5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole (CID 117231920) is 5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole.
What is the SMILES notation for 5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole?
The canonical SMILES for 5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole is CN1CCC(Cn2ncc(OC3CCCCC3)c2Cl)C1.
What is the InChIKey of 5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole?
The InChIKey is QWWAEPVICWKSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-18-8-7-12(10-18)11-19-15(16)14(9-17-19)20-13-5-3-2-4-6-13/h9,12-13H,2-8,10-11H2,1H3.
What are the key properties of 5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole?
5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole has a molecular weight of 297.83 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole is sourced from PubChem (CID 117231920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).