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

C14H22N4O3 — CID 118526888

IUPACtert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate
SMILESCc1cnn(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C14H22N4O3/c1-11-9-15-18(10-11)12(19)16-5-7-17(8-6-16)13(20)21-14(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyHJQWRDQCFRVZTL-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.71
Rot. Bonds

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

tert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate (PubChem CID 118526888) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is tert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate
PubChem CID118526888
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Nametert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate
SMILESCc1cnn(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C14H22N4O3/c1-11-9-15-18(10-11)12(19)16-5-7-17(8-6-16)13(20)21-14(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyHJQWRDQCFRVZTL-UHFFFAOYSA-N
XLogP1.71
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Shi-14
CID 118526667
Shi-17
CID 118526814
Shi-19
CID 118531075
Shi-20
CID 118531131
Shi-16
CID 118526607
Serine Hydrolase Inhibitor-10
CID 89785475
Tert-butyl 4-(4-cyanopyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate
CID 118526591
Tert-butyl 4-(4-cyanopyrazole-1-carbonyl)piperazine-1-carboxylate
CID 118526761
tert-butyl N-[2-[(4-cyanopyrazole-1-carbonyl)-methylamino]ethyl]-N-methylcarbamate
CID 118531127
tert-Butyl 4-[2-(1H-pyrazol-1-yl)ethyl]piperazine-1-carboxylate
CID 52903976
tert-butyl 4-methyl-1H-pyrazole-1-carboxylate
CID 23021524
Tert-butyl 3,5-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 56804876

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate (CID 118526888) is tert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate is Cc1cnn(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate?
The InChIKey is HJQWRDQCFRVZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11-9-15-18(10-11)12(19)16-5-7-17(8-6-16)13(20)21-14(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate has a molecular weight of 294.36 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methylpyrazole-1-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 118526888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).