[1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid

C11H19N5O2 — CID 67437095

IUPAC[1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(c2c(N)cnn2C)CC1
InChIInChI=1S/C11H19N5O2/c1-14(11(17)18)8-3-5-16(6-4-8)10-9(12)7-13-15(10)2/h7-8H,3-6,12H2,1-2H3,(H,17,18)
InChIKeyOKBZSJUQAPAJSV-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.58
Rot. Bonds2

About [1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid

[1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid (PubChem CID 67437095) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is [1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid
PubChem CID67437095
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name[1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(c2c(N)cnn2C)CC1
InChIInChI=1S/C11H19N5O2/c1-14(11(17)18)8-3-5-16(6-4-8)10-9(12)7-13-15(10)2/h7-8H,3-6,12H2,1-2H3,(H,17,18)
InChIKeyOKBZSJUQAPAJSV-UHFFFAOYSA-N
XLogP0.58
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid?
The IUPAC name of [1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid (CID 67437095) is [1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid.
What is the SMILES notation for [1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid?
The canonical SMILES for [1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid is CN(C(=O)O)C1CCN(c2c(N)cnn2C)CC1.
What is the InChIKey of [1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid?
The InChIKey is OKBZSJUQAPAJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-14(11(17)18)8-3-5-16(6-4-8)10-9(12)7-13-15(10)2/h7-8H,3-6,12H2,1-2H3,(H,17,18).
What are the key properties of [1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid?
[1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid has a molecular weight of 253.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid is sourced from PubChem (CID 67437095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).