tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate

C14H19N5O3 — CID 118526761

IUPACtert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)n2cc(C#N)cn2)CC1
InChIInChI=1S/C14H19N5O3/c1-14(2,3)22-13(21)18-6-4-17(5-7-18)12(20)19-10-11(8-15)9-16-19/h9-10H,4-7H2,1-3H3
InChIKeyDWSGGILHURQSQX-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.28
Rot. Bonds

About tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate (PubChem CID 118526761) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate
PubChem CID118526761
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Nametert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)n2cc(C#N)cn2)CC1
InChIInChI=1S/C14H19N5O3/c1-14(2,3)22-13(21)18-6-4-17(5-7-18)12(20)19-10-11(8-15)9-16-19/h9-10H,4-7H2,1-3H3
InChIKeyDWSGGILHURQSQX-UHFFFAOYSA-N
XLogP1.28
TPSA91.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-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

Shi-14
CID 118526667
Shi-13
CID 118526888
Shi-19
CID 118531075
Shi-20
CID 118531131
Shi-16
CID 118526607
Tert-butyl 4-(4-cyanopyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate
CID 118526591
1-(Piperidine-1-carbonyl)pyrazole-4-carbonitrile
CID 118526750
tert-butyl N-[2-[(4-cyanopyrazole-1-carbonyl)-methylamino]ethyl]-N-methylcarbamate
CID 118531127
Tert-butyl 4-[4-(trifluoromethyl)pyrazole-1-carbonyl]piperazine-1-carboxylate
CID 118526630
Tert-butyl 4-[4-(trifluoromethyl)pyrazole-1-carbonyl]-1,4-diazepane-1-carboxylate
CID 118526897
Tert-butyl 4-[2-(4-cyanopyrazol-1-yl)ethyl]piperazine-1-carboxylate
CID 122225078
tert-Butyl 4-(4-cyano-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 101566240

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate (CID 118526761) is tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)n2cc(C#N)cn2)CC1.
What is the InChIKey of tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate?
The InChIKey is DWSGGILHURQSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-14(2,3)22-13(21)18-6-4-17(5-7-18)12(20)19-10-11(8-15)9-16-19/h9-10H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 118526761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).