1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol

C11H20N4O — CID 62207914

IUPAC1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol
SMILESCc1nn(C)c(N)c1CN1CCCC(O)C1
InChIInChI=1S/C11H20N4O/c1-8-10(11(12)14(2)13-8)7-15-5-3-4-9(16)6-15/h9,16H,3-7,12H2,1-2H3
InChIKeyPWDMOCNDDNLLNO-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.27
Rot. Bonds2

About 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol

1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol (PubChem CID 62207914) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol
PubChem CID62207914
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol
SMILESCc1nn(C)c(N)c1CN1CCCC(O)C1
InChIInChI=1S/C11H20N4O/c1-8-10(11(12)14(2)13-8)7-15-5-3-4-9(16)6-15/h9,16H,3-7,12H2,1-2H3
InChIKeyPWDMOCNDDNLLNO-UHFFFAOYSA-N
XLogP0.27
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol (CID 62207914) is 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol is Cc1nn(C)c(N)c1CN1CCCC(O)C1.
What is the InChIKey of 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol?
The InChIKey is PWDMOCNDDNLLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-10(11(12)14(2)13-8)7-15-5-3-4-9(16)6-15/h9,16H,3-7,12H2,1-2H3.
What are the key properties of 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol?
1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol has a molecular weight of 224.31 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 62207914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).