1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol

C12H21N3O2 — CID 102959804

IUPAC1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol
SMILESCc1nn(C)c(N2CCC(C)C(O)C2)c1CO
InChIInChI=1S/C12H21N3O2/c1-8-4-5-15(6-11(8)17)12-10(7-16)9(2)13-14(12)3/h8,11,16-17H,4-7H2,1-3H3
InChIKeyFIJMAVNBQIRZKN-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.43
Rot. Bonds2

About 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol

1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol (PubChem CID 102959804) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol
PubChem CID102959804
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol
SMILESCc1nn(C)c(N2CCC(C)C(O)C2)c1CO
InChIInChI=1S/C12H21N3O2/c1-8-4-5-15(6-11(8)17)12-10(7-16)9(2)13-14(12)3/h8,11,16-17H,4-7H2,1-3H3
InChIKeyFIJMAVNBQIRZKN-UHFFFAOYSA-N
XLogP0.43
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol
CID 102961085
1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol
CID 102960925
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol
CID 62941352
1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol
CID 114679359
1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-3-methylpiperidin-4-ol
CID 114679409
[5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-yl]methanol
CID 61445720
1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol
CID 55131179
4-(bromomethyl)-1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazole
CID 107080851
[1,3-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazol-4-yl]methanol
CID 28963502
[1,3-dimethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrazol-4-yl]methanol
CID 114411383
[1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol
CID 43122104
[3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol
CID 61226185

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol (CID 102959804) is 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol is Cc1nn(C)c(N2CCC(C)C(O)C2)c1CO.
What is the InChIKey of 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol?
The InChIKey is FIJMAVNBQIRZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-4-5-15(6-11(8)17)12-10(7-16)9(2)13-14(12)3/h8,11,16-17H,4-7H2,1-3H3.
What are the key properties of 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol?
1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol has a molecular weight of 239.32 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102959804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).