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

C15H21FN6 — CID 139645462

IUPAC2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
SMILESFC(CCn1cccn1)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H21FN6/c16-14(3-8-22-7-2-6-19-22)13-20-9-11-21(12-10-20)15-17-4-1-5-18-15/h1-2,4-7,14H,3,8-13H2
InChIKeyWDTACILSKRRQIJ-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.22
Rot. Bonds6

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

2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine (PubChem CID 139645462) has the molecular formula C15H21FN6 and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
PubChem CID139645462
Molecular FormulaC15H21FN6
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC Name2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
SMILESFC(CCn1cccn1)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H21FN6/c16-14(3-8-22-7-2-6-19-22)13-20-9-11-21(12-10-20)15-17-4-1-5-18-15/h1-2,4-7,14H,3,8-13H2
InChIKeyWDTACILSKRRQIJ-UHFFFAOYSA-N
XLogP1.22
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine (CID 139645462) is 2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine is FC(CCn1cccn1)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
The InChIKey is WDTACILSKRRQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6/c16-14(3-8-22-7-2-6-19-22)13-20-9-11-21(12-10-20)15-17-4-1-5-18-15/h1-2,4-7,14H,3,8-13H2.
What are the key properties of 2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine?
2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine has a molecular weight of 304.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-4-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 139645462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).