tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate

C13H21N3O2 — CID 75817647

IUPACtert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-9-5-4-6-11(16)10-7-8-14-15-10/h7-8,11H,4-6,9H2,1-3H3,(H,14,15)
InChIKeyFEXHWTNPCNYUBH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.87
Rot. Bonds1

About tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate

tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate (PubChem CID 75817647) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
PubChem CID75817647
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nametert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-9-5-4-6-11(16)10-7-8-14-15-10/h7-8,11H,4-6,9H2,1-3H3,(H,14,15)
InChIKeyFEXHWTNPCNYUBH-UHFFFAOYSA-N
XLogP2.87
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029491
tert-butyl (2R)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029440
3,3-dimethyl-1-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 95821595
tert-butyl (2R)-2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 94809182
tert-butyl 2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51095422
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
CID 73424849
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125002293
(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
tert-butyl 2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 102106848
tert-butyl (2S)-2-(1H-imidazol-5-yl)pyrrolidine-1-carboxylate
CID 114986170
[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124641151
tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate (CID 75817647) is tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1c1ccn[nH]1.
What is the InChIKey of tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate?
The InChIKey is FEXHWTNPCNYUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-9-5-4-6-11(16)10-7-8-14-15-10/h7-8,11H,4-6,9H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate?
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 75817647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).