[[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate

C17H22N4O2 — CID 89482800

IUPAC[[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate
SMILESCn1nc(C2CCCCN2C(OC=O)c2ccccc2)cc1N
InChIInChI=1S/C17H22N4O2/c1-20-16(18)11-14(19-20)15-9-5-6-10-21(15)17(23-12-22)13-7-3-2-4-8-13/h2-4,7-8,11-12,15,17H,5-6,9-10,18H2,1H3
InChIKeyDMJLDUCARZLVOU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.40
Rot. Bonds5

About [[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate

[[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate (PubChem CID 89482800) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate.

Molecular Properties

Compound Name[[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate
PubChem CID89482800
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate
SMILESCn1nc(C2CCCCN2C(OC=O)c2ccccc2)cc1N
InChIInChI=1S/C17H22N4O2/c1-20-16(18)11-14(19-20)15-9-5-6-10-21(15)17(23-12-22)13-7-3-2-4-8-13/h2-4,7-8,11-12,15,17H,5-6,9-10,18H2,1H3
InChIKeyDMJLDUCARZLVOU-UHFFFAOYSA-N
XLogP2.40
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate?
The IUPAC name of [[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate (CID 89482800) is [[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate.
What is the SMILES notation for [[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate?
The canonical SMILES for [[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate is Cn1nc(C2CCCCN2C(OC=O)c2ccccc2)cc1N.
What is the InChIKey of [[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate?
The InChIKey is DMJLDUCARZLVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-16(18)11-14(19-20)15-9-5-6-10-21(15)17(23-12-22)13-7-3-2-4-8-13/h2-4,7-8,11-12,15,17H,5-6,9-10,18H2,1H3.
What are the key properties of [[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate?
[[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate has a molecular weight of 314.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(5-amino-1-methylpyrazol-3-yl)piperidin-1-yl]-phenylmethyl] formate is sourced from PubChem (CID 89482800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).