1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride

C19H21ClN4O — CID 155538893

IUPAC1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride
SMILESCl.c1ccc(Oc2ccc(-c3cc(N4CCNCC4)n[nH]3)cc2)cc1
InChIInChI=1S/C19H20N4O.ClH/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(22-21-18)23-12-10-20-11-13-23;/h1-9,14,20H,10-13H2,(H,21,22);1H
InChIKeyXUKAKOYATWEXMB-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.70
Rot. Bonds4

About 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride

1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride (PubChem CID 155538893) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride
PubChem CID155538893
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride
SMILESCl.c1ccc(Oc2ccc(-c3cc(N4CCNCC4)n[nH]3)cc2)cc1
InChIInChI=1S/C19H20N4O.ClH/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(22-21-18)23-12-10-20-11-13-23;/h1-9,14,20H,10-13H2,(H,21,22);1H
InChIKeyXUKAKOYATWEXMB-UHFFFAOYSA-N
XLogP3.70
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride?
The IUPAC name of 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride (CID 155538893) is 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride.
What is the SMILES notation for 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride?
The canonical SMILES for 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride is Cl.c1ccc(Oc2ccc(-c3cc(N4CCNCC4)n[nH]3)cc2)cc1.
What is the InChIKey of 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride?
The InChIKey is XUKAKOYATWEXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.ClH/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(22-21-18)23-12-10-20-11-13-23;/h1-9,14,20H,10-13H2,(H,21,22);1H.
What are the key properties of 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride?
1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride has a molecular weight of 356.86 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine;hydrochloride is sourced from PubChem (CID 155538893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).