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

C14H18N4O — CID 117209864

IUPAC1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
SMILESCOc1cccc(-c2[nH]ncc2N2CCNCC2)c1
InChIInChI=1S/C14H18N4O/c1-19-12-4-2-3-11(9-12)14-13(10-16-17-14)18-7-5-15-6-8-18/h2-4,9-10,15H,5-8H2,1H3,(H,16,17)
InChIKeyPVXOGRBWNHUOLQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.49
Rot. Bonds3

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

1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine (PubChem CID 117209864) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
PubChem CID117209864
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
SMILESCOc1cccc(-c2[nH]ncc2N2CCNCC2)c1
InChIInChI=1S/C14H18N4O/c1-19-12-4-2-3-11(9-12)14-13(10-16-17-14)18-7-5-15-6-8-18/h2-4,9-10,15H,5-8H2,1H3,(H,16,17)
InChIKeyPVXOGRBWNHUOLQ-UHFFFAOYSA-N
XLogP1.49
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine?
The IUPAC name of 1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine (CID 117209864) is 1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine?
The canonical SMILES for 1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine is COc1cccc(-c2[nH]ncc2N2CCNCC2)c1.
What is the InChIKey of 1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine?
The InChIKey is PVXOGRBWNHUOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-19-12-4-2-3-11(9-12)14-13(10-16-17-14)18-7-5-15-6-8-18/h2-4,9-10,15H,5-8H2,1H3,(H,16,17).
What are the key properties of 1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine?
1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine has a molecular weight of 258.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine is sourced from PubChem (CID 117209864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).