1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole

C15H25N3O — CID 117233942

IUPAC1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole
SMILESCN1CCCC1COc1cnn(C2CCCCC2)c1
InChIInChI=1S/C15H25N3O/c1-17-9-5-8-14(17)12-19-15-10-16-18(11-15)13-6-3-2-4-7-13/h10-11,13-14H,2-9,12H2,1H3
InChIKeyKJWZQFIBEXGRHE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.86
Rot. Bonds4

About 1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole

1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole (PubChem CID 117233942) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole.

Molecular Properties

Compound Name1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole
PubChem CID117233942
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole
SMILESCN1CCCC1COc1cnn(C2CCCCC2)c1
InChIInChI=1S/C15H25N3O/c1-17-9-5-8-14(17)12-19-15-10-16-18(11-15)13-6-3-2-4-7-13/h10-11,13-14H,2-9,12H2,1H3
InChIKeyKJWZQFIBEXGRHE-UHFFFAOYSA-N
XLogP2.86
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole?
The IUPAC name of 1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole (CID 117233942) is 1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole.
What is the SMILES notation for 1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole?
The canonical SMILES for 1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole is CN1CCCC1COc1cnn(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole?
The InChIKey is KJWZQFIBEXGRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-9-5-8-14(17)12-19-15-10-16-18(11-15)13-6-3-2-4-7-13/h10-11,13-14H,2-9,12H2,1H3.
What are the key properties of 1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole?
1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole has a molecular weight of 263.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole is sourced from PubChem (CID 117233942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).