benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine

C17H24N4O2 — CID 89482802

IUPACbenzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine
SMILESCn1nc(C2CCCCN2)cc1N.O=COCc1ccccc1
InChIInChI=1S/C9H16N4.C8H8O2/c1-13-9(10)6-8(12-13)7-4-2-3-5-11-7;9-7-10-6-8-4-2-1-3-5-8/h6-7,11H,2-5,10H2,1H3;1-5,7H,6H2
InChIKeyDZNVQWVGDFXCCJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.18
Rot. Bonds4

About benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine

benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine (PubChem CID 89482802) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Namebenzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine
PubChem CID89482802
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Namebenzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine
SMILESCn1nc(C2CCCCN2)cc1N.O=COCc1ccccc1
InChIInChI=1S/C9H16N4.C8H8O2/c1-13-9(10)6-8(12-13)7-4-2-3-5-11-7;9-7-10-6-8-4-2-1-3-5-8/h6-7,11H,2-5,10H2,1H3;1-5,7H,6H2
InChIKeyDZNVQWVGDFXCCJ-UHFFFAOYSA-N
XLogP2.18
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine?
The IUPAC name of benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine (CID 89482802) is benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine.
What is the SMILES notation for benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine?
The canonical SMILES for benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine is Cn1nc(C2CCCCN2)cc1N.O=COCc1ccccc1.
What is the InChIKey of benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine?
The InChIKey is DZNVQWVGDFXCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.C8H8O2/c1-13-9(10)6-8(12-13)7-4-2-3-5-11-7;9-7-10-6-8-4-2-1-3-5-8/h6-7,11H,2-5,10H2,1H3;1-5,7H,6H2.
What are the key properties of benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine?
benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine has a molecular weight of 316.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl formate;1-methyl-3-piperidin-2-ylpyrazol-5-amine is sourced from PubChem (CID 89482802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).