tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate

C13H20N6O2 — CID 146276052

IUPACtert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N=[N+]=[N-])cn2)CC1
InChIInChI=1S/C13H20N6O2/c1-13(2,3)21-12(20)18-6-4-11(5-7-18)19-9-10(8-15-19)16-17-14/h8-9,11H,4-7H2,1-3H3
InChIKeyDDGFYLQKZFKNDX-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.40
Rot. Bonds2

About tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 146276052) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate
PubChem CID146276052
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Nametert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N=[N+]=[N-])cn2)CC1
InChIInChI=1S/C13H20N6O2/c1-13(2,3)21-12(20)18-6-4-11(5-7-18)19-9-10(8-15-19)16-17-14/h8-9,11H,4-7H2,1-3H3
InChIKeyDDGFYLQKZFKNDX-UHFFFAOYSA-N
XLogP3.40
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 107253321
tert-butyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 56777238
tert-butyl 4-[4-(4-methylpiperazin-1-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 169092669
tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate
CID 155207963
tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 104584235
4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 142325362
tert-butyl 4-[4-(2-methylpyrimidin-5-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 123325395
tert-butyl 4-[4-(cyclopropylmethylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 104587606
tert-butyl 4-[4-(4-nitropyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 177197342
tert-butyl 4-[4-(4-chloro-2-oxopyrrolidin-1-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 168687203
2,6-dimethyl-4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 172876934
tert-butyl 4-[4-(4,4,5,5-tetraethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 171392913

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate (CID 146276052) is tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(N=[N+]=[N-])cn2)CC1.
What is the InChIKey of tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is DDGFYLQKZFKNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-13(2,3)21-12(20)18-6-4-11(5-7-18)19-9-10(8-15-19)16-17-14/h8-9,11H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-azidopyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 146276052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).