1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine

C12H22N4 — CID 117210022

IUPAC1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine
SMILESCC(C)(C)Cc1[nH]ncc1N1CCNCC1
InChIInChI=1S/C12H22N4/c1-12(2,3)8-10-11(9-14-15-10)16-6-4-13-5-7-16/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyFDZLUTXACKPJBR-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.41
Rot. Bonds2

About 1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine

1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine (PubChem CID 117210022) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine
PubChem CID117210022
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine
SMILESCC(C)(C)Cc1[nH]ncc1N1CCNCC1
InChIInChI=1S/C12H22N4/c1-12(2,3)8-10-11(9-14-15-10)16-6-4-13-5-7-16/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyFDZLUTXACKPJBR-UHFFFAOYSA-N
XLogP1.41
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]piperazine
CID 117210172
1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine
CID 117210074
5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine
CID 117224212
5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one
CID 23018250
(4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine
CID 83618685
4-piperazin-1-yl-1H-indazole;hydrochloride
CID 131699602
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601337
4-[2-(2,5-dimethylphenyl)ethyl]-6-(4-piperazin-1-yl-1H-pyrazol-5-yl)benzene-1,3-diol
CID 135543715
1-ethyl-4-[(4-piperazin-1-yl-3-pyridinyl)sulfonyl]piperazine
CID 102538674
1-[2-(2-methylbutan-2-yl)phenyl]piperazine
CID 155119866
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
3,4-dimethyl-5-piperazin-1-ylpyridazine
CID 91150829

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine?
The IUPAC name of 1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine (CID 117210022) is 1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine?
The canonical SMILES for 1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine is CC(C)(C)Cc1[nH]ncc1N1CCNCC1.
What is the InChIKey of 1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine?
The InChIKey is FDZLUTXACKPJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2,3)8-10-11(9-14-15-10)16-6-4-13-5-7-16/h9,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine?
1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine has a molecular weight of 222.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine is sourced from PubChem (CID 117210022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).