1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride

C8H16Cl2N4 — CID 126809354

IUPAC1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride
SMILESCc1cc(N2CCNCC2)n[nH]1.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-7-6-8(11-10-7)12-4-2-9-3-5-12;;/h6,9H,2-5H2,1H3,(H,10,11);2*1H
InChIKeyZRIGWTOOAAJUHX-UHFFFAOYSA-N
MW239.15 g/mol
LogP0.97
Rot. Bonds1

About 1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride

1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride (PubChem CID 126809354) has the molecular formula C8H16Cl2N4 and a molecular weight of 239.15 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride
PubChem CID126809354
Molecular FormulaC8H16Cl2N4
Molecular Weight239.15 g/mol
Exact Mass238.08
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride
SMILESCc1cc(N2CCNCC2)n[nH]1.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-7-6-8(11-10-7)12-4-2-9-3-5-12;;/h6,9H,2-5H2,1H3,(H,10,11);2*1H
InChIKeyZRIGWTOOAAJUHX-UHFFFAOYSA-N
XLogP0.97
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-1H-pyrazol-5-yl)piperidin-4-amine
CID 75480354
1-(5-methyl-1H-pyrazol-3-yl)piperazine
CID 62548256
1-(1,3-dimethyl-1H-pyrazol-5-yl)piperidin-3-amine
CID 86775623
N1-(1,3-dimethyl-1H-pyrazol-5-yl)ethane-1,2-diamine dihydrochloride
CID 91647558
N-ethyl-5-methyl-1H-pyrazol-3-amine
CID 45092829
1-Cyclobutyl-4-(5-methyl-1H-pyrazol-3-YL)piperazine
CID 99842589
N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide
CID 100731486
1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine
CID 100735344
N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 71062423
3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123255025
3-[4-(2-fluoroethyl)piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 123458499
Diethyl-(5-trifluoromethyl-2H-pyrazol-3-yl)-amine
CID 56965581

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride (CID 126809354) is 1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride is Cc1cc(N2CCNCC2)n[nH]1.Cl.Cl.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride?
The InChIKey is ZRIGWTOOAAJUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2ClH/c1-7-6-8(11-10-7)12-4-2-9-3-5-12;;/h6,9H,2-5H2,1H3,(H,10,11);2*1H.
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride?
1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)piperazine;dihydrochloride is sourced from PubChem (CID 126809354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).