5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide

C11H18N4OS — CID 63756175

IUPAC5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
SMILESCc1nn(C)c(N2CCCC(O)C2)c1C(N)=S
InChIInChI=1S/C11H18N4OS/c1-7-9(10(12)17)11(14(2)13-7)15-5-3-4-8(16)6-15/h8,16H,3-6H2,1-2H3,(H2,12,17)
InChIKeyZBRMXEGQWJKRPD-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.32
Rot. Bonds2

About 5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide

5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide (PubChem CID 63756175) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide.

Molecular Properties

Compound Name5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
PubChem CID63756175
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
SMILESCc1nn(C)c(N2CCCC(O)C2)c1C(N)=S
InChIInChI=1S/C11H18N4OS/c1-7-9(10(12)17)11(14(2)13-7)15-5-3-4-8(16)6-15/h8,16H,3-6H2,1-2H3,(H2,12,17)
InChIKeyZBRMXEGQWJKRPD-UHFFFAOYSA-N
XLogP0.32
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-5-pyrrolidin-1-ylpyrazole-4-carbothioamide
CID 63757362
1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazole-4-carbothioamide
CID 63756692
1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103195947
5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbothioamide
CID 64598322
5-[4-(dimethylamino)piperidin-1-yl]-1,3-dimethylpyrazole-4-carbothioamide
CID 63757044
1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid
CID 63756447
5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 63751371
5-(4-methoxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
CID 63757042
1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide
CID 63757257
1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol
CID 61434543
1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazole-4-carboximidamide
CID 63752202
5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 55242512

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide?
The IUPAC name of 5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide (CID 63756175) is 5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide.
What is the SMILES notation for 5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide?
The canonical SMILES for 5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide is Cc1nn(C)c(N2CCCC(O)C2)c1C(N)=S.
What is the InChIKey of 5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide?
The InChIKey is ZBRMXEGQWJKRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7-9(10(12)17)11(14(2)13-7)15-5-3-4-8(16)6-15/h8,16H,3-6H2,1-2H3,(H2,12,17).
What are the key properties of 5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide?
5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide has a molecular weight of 254.36 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide is sourced from PubChem (CID 63756175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).