tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate

C14H21N5O2 — CID 22309772

IUPACtert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2[nH]nc(N)c2C#N)CC1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)19-6-4-9(5-7-19)11-10(8-15)12(16)18-17-11/h9H,4-7H2,1-3H3,(H3,16,17,18)
InChIKeyZVTRVKFRQVETLF-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.98
Rot. Bonds1

About tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate

tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate (PubChem CID 22309772) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate
PubChem CID22309772
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Nametert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2[nH]nc(N)c2C#N)CC1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)19-6-4-9(5-7-19)11-10(8-15)12(16)18-17-11/h9H,4-7H2,1-3H3,(H3,16,17,18)
InChIKeyZVTRVKFRQVETLF-UHFFFAOYSA-N
XLogP1.98
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate (CID 22309772) is tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2[nH]nc(N)c2C#N)CC1.
What is the InChIKey of tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate?
The InChIKey is ZVTRVKFRQVETLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)19-6-4-9(5-7-19)11-10(8-15)12(16)18-17-11/h9H,4-7H2,1-3H3,(H3,16,17,18).
What are the key properties of tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate has a molecular weight of 291.36 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 22309772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).