1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine

C14H17FN4O — CID 63048166

IUPAC1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine
SMILESCOc1ccc(-c2cc(N3CCNCC3)n[nH]2)cc1F
InChIInChI=1S/C14H17FN4O/c1-20-13-3-2-10(8-11(13)15)12-9-14(18-17-12)19-6-4-16-5-7-19/h2-3,8-9,16H,4-7H2,1H3,(H,17,18)
InChIKeyUSASZSWHDYKWKH-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.63
Rot. Bonds3

About 1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine

1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine (PubChem CID 63048166) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine
PubChem CID63048166
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine
SMILESCOc1ccc(-c2cc(N3CCNCC3)n[nH]2)cc1F
InChIInChI=1S/C14H17FN4O/c1-20-13-3-2-10(8-11(13)15)12-9-14(18-17-12)19-6-4-16-5-7-19/h2-3,8-9,16H,4-7H2,1H3,(H,17,18)
InChIKeyUSASZSWHDYKWKH-UHFFFAOYSA-N
XLogP1.63
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine?
The IUPAC name of 1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine (CID 63048166) is 1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine?
The canonical SMILES for 1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine is COc1ccc(-c2cc(N3CCNCC3)n[nH]2)cc1F.
What is the InChIKey of 1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine?
The InChIKey is USASZSWHDYKWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-20-13-3-2-10(8-11(13)15)12-9-14(18-17-12)19-6-4-16-5-7-19/h2-3,8-9,16H,4-7H2,1H3,(H,17,18).
What are the key properties of 1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine?
1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine has a molecular weight of 276.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]piperazine is sourced from PubChem (CID 63048166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).