methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid

C10H17BN4O2 — CID 153412370

IUPACmethyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid
SMILESCB(O)N1CCC(NC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C10H17BN4O2/c1-11(17)15-6-3-8(4-7-15)13-10(16)9-2-5-12-14-9/h2,5,8,17H,3-4,6-7H2,1H3,(H,12,14)(H,13,16)
InChIKeyIXKAZZPAUUXANU-UHFFFAOYSA-N
MW236.08 g/mol
LogP-0.29
Rot. Bonds3

About methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid

methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid (PubChem CID 153412370) has the molecular formula C10H17BN4O2 and a molecular weight of 236.08 g/mol. Its IUPAC name is methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid.

Molecular Properties

Compound Namemethyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid
PubChem CID153412370
Molecular FormulaC10H17BN4O2
Molecular Weight236.08 g/mol
Exact Mass236.14
IUPAC Namemethyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid
SMILESCB(O)N1CCC(NC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C10H17BN4O2/c1-11(17)15-6-3-8(4-7-15)13-10(16)9-2-5-12-14-9/h2,5,8,17H,3-4,6-7H2,1H3,(H,12,14)(H,13,16)
InChIKeyIXKAZZPAUUXANU-UHFFFAOYSA-N
XLogP-0.29
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.08
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid?
The IUPAC name of methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid (CID 153412370) is methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid.
What is the SMILES notation for methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid?
The canonical SMILES for methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid is CB(O)N1CCC(NC(=O)c2ccn[nH]2)CC1.
What is the InChIKey of methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid?
The InChIKey is IXKAZZPAUUXANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN4O2/c1-11(17)15-6-3-8(4-7-15)13-10(16)9-2-5-12-14-9/h2,5,8,17H,3-4,6-7H2,1H3,(H,12,14)(H,13,16).
What are the key properties of methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid?
methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid has a molecular weight of 236.08 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid is sourced from PubChem (CID 153412370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).