2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine

C18H20N6 — CID 17469721

IUPAC2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESc1ccc(-n2cc(CN3CCN(c4ncccn4)CC3)cn2)cc1
InChIInChI=1S/C18H20N6/c1-2-5-17(6-3-1)24-15-16(13-21-24)14-22-9-11-23(12-10-22)18-19-7-4-8-20-18/h1-8,13,15H,9-12,14H2
InChIKeyNHYBCEUNQSZDRF-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 17469721) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID17469721
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESc1ccc(-n2cc(CN3CCN(c4ncccn4)CC3)cn2)cc1
InChIInChI=1S/C18H20N6/c1-2-5-17(6-3-1)24-15-16(13-21-24)14-22-9-11-23(12-10-22)18-19-7-4-8-20-18/h1-8,13,15H,9-12,14H2
InChIKeyNHYBCEUNQSZDRF-UHFFFAOYSA-N
XLogP1.98
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine (CID 17469721) is 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine is c1ccc(-n2cc(CN3CCN(c4ncccn4)CC3)cn2)cc1.
What is the InChIKey of 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is NHYBCEUNQSZDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-2-5-17(6-3-1)24-15-16(13-21-24)14-22-9-11-23(12-10-22)18-19-7-4-8-20-18/h1-8,13,15H,9-12,14H2.
What are the key properties of 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 320.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 17469721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).