5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile

C16H16BrN3O — CID 80962290

IUPAC5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
SMILESN#Cc1cc(Br)ccc1OCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H16BrN3O/c17-13-5-6-16(12(9-13)10-18)21-11-14-7-8-20(19-14)15-3-1-2-4-15/h5-9,15H,1-4,11H2
InChIKeyOMOSWGQNRBNNBL-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.21
Rot. Bonds4

About 5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile

5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile (PubChem CID 80962290) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
PubChem CID80962290
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
SMILESN#Cc1cc(Br)ccc1OCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H16BrN3O/c17-13-5-6-16(12(9-13)10-18)21-11-14-7-8-20(19-14)15-3-1-2-4-15/h5-9,15H,1-4,11H2
InChIKeyOMOSWGQNRBNNBL-UHFFFAOYSA-N
XLogP4.21
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile
CID 167879327
3-[(2-bromo-4-fluorophenoxy)methyl]-1-cyclohexylpyrazole
CID 64801690
[3-bromo-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800020
3-bromo-5-[(1-cyclopentylpyrazol-3-yl)methoxy]aniline
CID 103588284
3-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-cyclopentylpyrazole
CID 64785349
2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
CID 80963175
[3-chloro-4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64801737
[2-[(1-cyclopentylpyrazol-3-yl)methoxy]-5-methylphenyl]methanol
CID 64785535
5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile
CID 80601974
3-bromo-5-chloro-2-[(1-cyclopentylpyrazol-3-yl)methoxy]aniline
CID 64799239
3-[[2-(chloromethyl)phenoxy]methyl]-1-cyclohexylpyrazole
CID 64784762
1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole
CID 64779347

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile?
The IUPAC name of 5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile (CID 80962290) is 5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile.
What is the SMILES notation for 5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile?
The canonical SMILES for 5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile is N#Cc1cc(Br)ccc1OCc1ccn(C2CCCC2)n1.
What is the InChIKey of 5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile?
The InChIKey is OMOSWGQNRBNNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-13-5-6-16(12(9-13)10-18)21-11-14-7-8-20(19-14)15-3-1-2-4-15/h5-9,15H,1-4,11H2.
What are the key properties of 5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile?
5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile has a molecular weight of 346.23 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile is sourced from PubChem (CID 80962290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).