(4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol

C15H24BrN3O — CID 114644550

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol
SMILESCn1ncc(Br)c1C(O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C15H24BrN3O/c1-18-13(12(16)11-17-18)14(20)15(7-3-4-8-15)19-9-5-2-6-10-19/h11,14,20H,2-10H2,1H3
InChIKeyUOENXAVGDAZOCE-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.01
Rot. Bonds3

About (4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol

(4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol (PubChem CID 114644550) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol
PubChem CID114644550
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol
SMILESCn1ncc(Br)c1C(O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C15H24BrN3O/c1-18-13(12(16)11-17-18)14(20)15(7-3-4-8-15)19-9-5-2-6-10-19/h11,14,20H,2-10H2,1H3
InChIKeyUOENXAVGDAZOCE-UHFFFAOYSA-N
XLogP3.01
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Fluoro-5-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 145337900
1-(4-Bromo-1-ethylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312636
1-(4-Bromo-1-propylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312638
1-(4-Bromo-1-propan-2-ylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312640
(4-Bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105127614
(4-Bromo-1-ethylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol
CID 105127629
(4-Bromo-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105127630
(4-Bromo-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105127669
[4-Bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol
CID 105127896
(4-Bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105128015
(4-Bromo-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol
CID 105128041
(4-Bromo-1-propylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105128042

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol (CID 114644550) is (4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol is Cn1ncc(Br)c1C(O)C1(N2CCCCC2)CCCC1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol?
The InChIKey is UOENXAVGDAZOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-18-13(12(16)11-17-18)14(20)15(7-3-4-8-15)19-9-5-2-6-10-19/h11,14,20H,2-10H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol has a molecular weight of 342.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(1-piperidin-1-ylcyclopentyl)methanol is sourced from PubChem (CID 114644550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).