1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine

C19H27N3 — CID 176809540

IUPAC1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine
SMILESCc1ccccc1-n1cc(C2CCN(C(C)(C)C)CC2)cn1
InChIInChI=1S/C19H27N3/c1-15-7-5-6-8-18(15)22-14-17(13-20-22)16-9-11-21(12-10-16)19(2,3)4/h5-8,13-14,16H,9-12H2,1-4H3
InChIKeyOMKFWIBYTXMBMM-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.16
Rot. Bonds2

About 1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine

1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine (PubChem CID 176809540) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine
PubChem CID176809540
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine
SMILESCc1ccccc1-n1cc(C2CCN(C(C)(C)C)CC2)cn1
InChIInChI=1S/C19H27N3/c1-15-7-5-6-8-18(15)22-14-17(13-20-22)16-9-11-21(12-10-16)19(2,3)4/h5-8,13-14,16H,9-12H2,1-4H3
InChIKeyOMKFWIBYTXMBMM-UHFFFAOYSA-N
XLogP4.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine 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 1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine?
The IUPAC name of 1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine (CID 176809540) is 1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine is Cc1ccccc1-n1cc(C2CCN(C(C)(C)C)CC2)cn1.
What is the InChIKey of 1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine?
The InChIKey is OMKFWIBYTXMBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-15-7-5-6-8-18(15)22-14-17(13-20-22)16-9-11-21(12-10-16)19(2,3)4/h5-8,13-14,16H,9-12H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine?
1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine has a molecular weight of 297.45 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine is sourced from PubChem (CID 176809540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).