1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine

C16H19FN8 — CID 164879199

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine
SMILESCc1n[nH]c(C)c1N1CCN(c2cc(-c3nn[nH]n3)ccc2F)CC1
InChIInChI=1S/C16H19FN8/c1-10-15(11(2)19-18-10)25-7-5-24(6-8-25)14-9-12(3-4-13(14)17)16-20-22-23-21-16/h3-4,9H,5-8H2,1-2H3,(H,18,19)(H,20,21,22,23)
InChIKeyLMUSRPJMTIMANS-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.67
Rot. Bonds3

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine

1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine (PubChem CID 164879199) has the molecular formula C16H19FN8 and a molecular weight of 342.38 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine
PubChem CID164879199
Molecular FormulaC16H19FN8
Molecular Weight342.38 g/mol
Exact Mass342.17
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine
SMILESCc1n[nH]c(C)c1N1CCN(c2cc(-c3nn[nH]n3)ccc2F)CC1
InChIInChI=1S/C16H19FN8/c1-10-15(11(2)19-18-10)25-7-5-24(6-8-25)14-9-12(3-4-13(14)17)16-20-22-23-21-16/h3-4,9H,5-8H2,1-2H3,(H,18,19)(H,20,21,22,23)
InChIKeyLMUSRPJMTIMANS-UHFFFAOYSA-N
XLogP1.67
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine (CID 164879199) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine is Cc1n[nH]c(C)c1N1CCN(c2cc(-c3nn[nH]n3)ccc2F)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine?
The InChIKey is LMUSRPJMTIMANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN8/c1-10-15(11(2)19-18-10)25-7-5-24(6-8-25)14-9-12(3-4-13(14)17)16-20-22-23-21-16/h3-4,9H,5-8H2,1-2H3,(H,18,19)(H,20,21,22,23).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine has a molecular weight of 342.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]piperazine is sourced from PubChem (CID 164879199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).