tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate

C19H31N3O2 — CID 123466740

IUPACtert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)n(C2CCCC2)n1
InChIInChI=1S/C19H31N3O2/c1-14-13-17(22(20-14)16-7-5-6-8-16)15-9-11-21(12-10-15)18(23)24-19(2,3)4/h13,15-16H,5-12H2,1-4H3
InChIKeyFFBVJHDBJJZHCY-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.42
Rot. Bonds2

About tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate (PubChem CID 123466740) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate
PubChem CID123466740
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Nametert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)n(C2CCCC2)n1
InChIInChI=1S/C19H31N3O2/c1-14-13-17(22(20-14)16-7-5-6-8-16)15-9-11-21(12-10-15)18(23)24-19(2,3)4/h13,15-16H,5-12H2,1-4H3
InChIKeyFFBVJHDBJJZHCY-UHFFFAOYSA-N
XLogP4.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate (CID 123466740) is tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate is Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)n(C2CCCC2)n1.
What is the InChIKey of tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate?
The InChIKey is FFBVJHDBJJZHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14-13-17(22(20-14)16-7-5-6-8-16)15-9-11-21(12-10-15)18(23)24-19(2,3)4/h13,15-16H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate has a molecular weight of 333.48 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-cyclopentyl-5-methylpyrazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 123466740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).