1-[1-(1H-pyrazol-4-yl)propyl]piperazine

C10H18N4 — CID 53407648

IUPAC1-[1-(1H-pyrazol-4-yl)propyl]piperazine
SMILESCCC(c1cn[nH]c1)N1CCNCC1
InChIInChI=1S/C10H18N4/c1-2-10(9-7-12-13-8-9)14-5-3-11-4-6-14/h7-8,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyXXDTWYOQYMAADQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.77
Rot. Bonds3

About 1-[1-(1H-pyrazol-4-yl)propyl]piperazine

1-[1-(1H-pyrazol-4-yl)propyl]piperazine (PubChem CID 53407648) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[1-(1H-pyrazol-4-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[1-(1H-pyrazol-4-yl)propyl]piperazine
PubChem CID53407648
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-[1-(1H-pyrazol-4-yl)propyl]piperazine
SMILESCCC(c1cn[nH]c1)N1CCNCC1
InChIInChI=1S/C10H18N4/c1-2-10(9-7-12-13-8-9)14-5-3-11-4-6-14/h7-8,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyXXDTWYOQYMAADQ-UHFFFAOYSA-N
XLogP0.77
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(1S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]piperazine
CID 95480577
1-[1-(4-ethoxyphenyl)propyl]piperazine
CID 3597592
1-[(1S)-1-(3,5-dibromophenyl)propyl]piperazine;dihydrochloride
CID 171282713
1-(1-pyridin-4-ylpropyl)-1,4-diazepane
CID 3349010
1-[(1R)-1-(3,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171290631
1-[(1S)-1-thiophen-3-ylpropyl]piperazine
CID 131188138
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-pyrazol-4-yl)propyl]piperazine?
The IUPAC name of 1-[1-(1H-pyrazol-4-yl)propyl]piperazine (CID 53407648) is 1-[1-(1H-pyrazol-4-yl)propyl]piperazine.
What is the SMILES notation for 1-[1-(1H-pyrazol-4-yl)propyl]piperazine?
The canonical SMILES for 1-[1-(1H-pyrazol-4-yl)propyl]piperazine is CCC(c1cn[nH]c1)N1CCNCC1.
What is the InChIKey of 1-[1-(1H-pyrazol-4-yl)propyl]piperazine?
The InChIKey is XXDTWYOQYMAADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-10(9-7-12-13-8-9)14-5-3-11-4-6-14/h7-8,10-11H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-[1-(1H-pyrazol-4-yl)propyl]piperazine?
1-[1-(1H-pyrazol-4-yl)propyl]piperazine has a molecular weight of 194.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-pyrazol-4-yl)propyl]piperazine is sourced from PubChem (CID 53407648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).