2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine

C15H22N6 — CID 173345063

IUPAC2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
SMILESCCCC(N1CCN(c2ncccn2)CC1)n1cccn1
InChIInChI=1S/C15H22N6/c1-2-5-14(21-9-4-8-18-21)19-10-12-20(13-11-19)15-16-6-3-7-17-15/h3-4,6-9,14H,2,5,10-13H2,1H3
InChIKeyPDRYQLUOVGLPRQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.79
Rot. Bonds5

About 2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine

2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine (PubChem CID 173345063) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
PubChem CID173345063
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
SMILESCCCC(N1CCN(c2ncccn2)CC1)n1cccn1
InChIInChI=1S/C15H22N6/c1-2-5-14(21-9-4-8-18-21)19-10-12-20(13-11-19)15-16-6-3-7-17-15/h3-4,6-9,14H,2,5,10-13H2,1H3
InChIKeyPDRYQLUOVGLPRQ-UHFFFAOYSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425155
ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
CID 78964151
1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
CID 70202660
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 43650100
2-[4-[2-(bromomethyl)pentyl]piperazin-1-yl]pyrimidine
CID 65010832
N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 55070322
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425156
3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43312455
(2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
CID 40579380
butane;2-piperazin-1-ylpyrimidine
CID 144912345

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine (CID 173345063) is 2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine is CCCC(N1CCN(c2ncccn2)CC1)n1cccn1.
What is the InChIKey of 2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
The InChIKey is PDRYQLUOVGLPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-5-14(21-9-4-8-18-21)19-10-12-20(13-11-19)15-16-6-3-7-17-15/h3-4,6-9,14H,2,5,10-13H2,1H3.
What are the key properties of 2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine has a molecular weight of 286.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 173345063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).