tert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate

C15H25N3O2 — CID 18187657

IUPACtert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate
SMILESCCc1[nH]ncc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-5-13-12(10-16-17-13)11-6-8-18(9-7-11)14(19)20-15(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyJSQCZMXHWSXUML-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.09
Rot. Bonds2

About tert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate

tert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate (PubChem CID 18187657) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate
PubChem CID18187657
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate
SMILESCCc1[nH]ncc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-5-13-12(10-16-17-13)11-6-8-18(9-7-11)14(19)20-15(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyJSQCZMXHWSXUML-UHFFFAOYSA-N
XLogP3.09
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-C]pyridine
CID 10398680
tert-Butyl 7,7-dimethyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
CID 37818370
US10030012, Example 6
CID 78318738
tert-butyl 3-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 49759218
1,1-Dimethylethyl 1,4,5,7-tetrahydro-6H-pyrazolo(3,4-c)pyridine-6-carboxylate
CID 57345832
tert-butyl 3-(1H-pyrazol-3-yl)pyrrolidine-1-carboxylate
CID 58408491
tert-butyl 3-(1H-pyrazol-3-yl)piperidine-1-carboxylate
CID 63787659
tert-butyl 4-(1H-pyrazol-3-yl)piperidine-1-carboxylate
CID 68817960
Tert-butyl 4,5,11-triazatricyclo[6.2.1.0,2,6]undeca-2(6),3-diene-11-carboxylate
CID 119106461
1-(1-acetylpiperidin-4-yl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 53505690
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110256062

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate (CID 18187657) is tert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate is CCc1[nH]ncc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate?
The InChIKey is JSQCZMXHWSXUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-13-12(10-16-17-13)11-6-8-18(9-7-11)14(19)20-15(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-ethyl-1H-pyrazol-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 18187657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).