tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate

C18H31N3O2 — CID 123381830

IUPACtert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate
SMILESCCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)n(C(C)C)n1
InChIInChI=1S/C18H31N3O2/c1-7-15-12-16(21(19-15)13(2)3)14-8-10-20(11-9-14)17(22)23-18(4,5)6/h12-14H,7-11H2,1-6H3
InChIKeyQHTFOORNIDRSBD-UHFFFAOYSA-N
MW321.47 g/mol
LogP4.14
Rot. Bonds3

About tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate

tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate (PubChem CID 123381830) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate
PubChem CID123381830
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Nametert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate
SMILESCCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)n(C(C)C)n1
InChIInChI=1S/C18H31N3O2/c1-7-15-12-16(21(19-15)13(2)3)14-8-10-20(11-9-14)17(22)23-18(4,5)6/h12-14H,7-11H2,1-6H3
InChIKeyQHTFOORNIDRSBD-UHFFFAOYSA-N
XLogP4.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate (CID 123381830) is tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate is CCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)n(C(C)C)n1.
What is the InChIKey of tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate?
The InChIKey is QHTFOORNIDRSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-7-15-12-16(21(19-15)13(2)3)14-8-10-20(11-9-14)17(22)23-18(4,5)6/h12-14H,7-11H2,1-6H3.
What are the key properties of tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate has a molecular weight of 321.47 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 123381830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).