tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate

C15H24BrN3O2 — CID 118961780

IUPACtert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCCc1c(Br)cnn1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24BrN3O2/c1-5-13-12(16)10-17-19(13)11-6-8-18(9-7-11)14(20)21-15(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyIXMBMJWUMPSATE-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.78
Rot. Bonds2

About tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 118961780) has the molecular formula C15H24BrN3O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate
PubChem CID118961780
Molecular FormulaC15H24BrN3O2
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC Nametert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCCc1c(Br)cnn1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24BrN3O2/c1-5-13-12(16)10-17-19(13)11-6-8-18(9-7-11)14(20)21-15(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyIXMBMJWUMPSATE-UHFFFAOYSA-N
XLogP3.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-bromo-3-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate
CID 163524055
tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate
CID 118961816
5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
CID 125452272
tert-butyl 4-(5-bromopyrazolo[3,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 167328407
tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
CID 23084136
tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 107253321
tert-butyl 4-(6-chloropyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 163560176
ethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-5-carboxylate
CID 118378622
tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate
CID 155207963
tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate
CID 155194633
tert-butyl 4-(1-cyclopropyl-4-formylpyrazol-5-yl)piperidine-1-carboxylate
CID 21097373
tert-butyl 4-[4-(cyclopropylmethylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 104587606

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate (CID 118961780) is tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate is CCc1c(Br)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is IXMBMJWUMPSATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O2/c1-5-13-12(16)10-17-19(13)11-6-8-18(9-7-11)14(20)21-15(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 358.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 118961780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).