1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol

C15H25BrN2O2 — CID 115835756

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol
SMILESCOCCn1ncc(Br)c1C(O)CCC1CCCCC1
InChIInChI=1S/C15H25BrN2O2/c1-20-10-9-18-15(13(16)11-17-18)14(19)8-7-12-5-3-2-4-6-12/h11-12,14,19H,2-10H2,1H3
InChIKeyFXHGCFXVDSNRRX-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.69
Rot. Bonds7

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol (PubChem CID 115835756) has the molecular formula C15H25BrN2O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol
PubChem CID115835756
Molecular FormulaC15H25BrN2O2
Molecular Weight345.28 g/mol
Exact Mass344.11
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol
SMILESCOCCn1ncc(Br)c1C(O)CCC1CCCCC1
InChIInChI=1S/C15H25BrN2O2/c1-20-10-9-18-15(13(16)11-17-18)14(19)8-7-12-5-3-2-4-6-12/h11-12,14,19H,2-10H2,1H3
InChIKeyFXHGCFXVDSNRRX-UHFFFAOYSA-N
XLogP3.69
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol
CID 114637094
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethoxybutan-1-ol
CID 105128583
7-bicyclo[4.1.0]heptanyl-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115835832
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cycloheptyl-N-methylethanamine
CID 105042914
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635717
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027706
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethyl]hydrazine
CID 105254185
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229
[1-(4-bromo-1-propylpyrazol-5-yl)-3-cyclohexylpropyl]hydrazine
CID 105336636
1-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-hydroxymethyl]cyclohexan-1-ol
CID 103451810
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropane-1,2-diol
CID 103449119

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol (CID 115835756) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol is COCCn1ncc(Br)c1C(O)CCC1CCCCC1.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol?
The InChIKey is FXHGCFXVDSNRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2/c1-20-10-9-18-15(13(16)11-17-18)14(19)8-7-12-5-3-2-4-6-12/h11-12,14,19H,2-10H2,1H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol has a molecular weight of 345.28 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol is sourced from PubChem (CID 115835756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).