1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol

C15H26BrN3O — CID 109412002

IUPAC1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)Cn2ncc(Br)c2C(C)C)CC1
InChIInChI=1S/C15H26BrN3O/c1-11(2)15-14(16)8-17-19(15)10-13(20)9-18-6-4-12(3)5-7-18/h8,11-13,20H,4-7,9-10H2,1-3H3
InChIKeyJFFAKXKSEGGPLI-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.86
Rot. Bonds5

About 1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol

1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 109412002) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is 1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID109412002
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)Cn2ncc(Br)c2C(C)C)CC1
InChIInChI=1S/C15H26BrN3O/c1-11(2)15-14(16)8-17-19(15)10-13(20)9-18-6-4-12(3)5-7-18/h8,11-13,20H,4-7,9-10H2,1-3H3
InChIKeyJFFAKXKSEGGPLI-UHFFFAOYSA-N
XLogP2.86
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol
CID 109412003
1-(4-methylpiperidin-1-yl)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol
CID 109411933
1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol
CID 63623491
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 109412535
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 4085306
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905121
1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
1-(4-methylpiperidin-1-yl)-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-2-ol
CID 111799262

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 109412002) is 1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)Cn2ncc(Br)c2C(C)C)CC1.
What is the InChIKey of 1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is JFFAKXKSEGGPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-11(2)15-14(16)8-17-19(15)10-13(20)9-18-6-4-12(3)5-7-18/h8,11-13,20H,4-7,9-10H2,1-3H3.
What are the key properties of 1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 344.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 109412002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).