butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate

C14H23N3O2 — CID 69448963

IUPACbutyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2ccnn2C)CC1
InChIInChI=1S/C14H23N3O2/c1-3-4-11-19-14(18)17-9-6-12(7-10-17)13-5-8-15-16(13)2/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyQCPSXECAQCCISO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.54
Rot. Bonds4

About butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate

butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate (PubChem CID 69448963) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate
PubChem CID69448963
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namebutyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2ccnn2C)CC1
InChIInChI=1S/C14H23N3O2/c1-3-4-11-19-14(18)17-9-6-12(7-10-17)13-5-8-15-16(13)2/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyQCPSXECAQCCISO-UHFFFAOYSA-N
XLogP2.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate 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 butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate (CID 69448963) is butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate is CCCCOC(=O)N1CCC(c2ccnn2C)CC1.
What is the InChIKey of butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate?
The InChIKey is QCPSXECAQCCISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-4-11-19-14(18)17-9-6-12(7-10-17)13-5-8-15-16(13)2/h5,8,12H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate?
butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 69448963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).