1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol

C23H28N4O — CID 15084038

IUPAC1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol
SMILESCN1CCN(CCCn2nc(-c3ccccc3)c(O)c2-c2ccccc2)CC1
InChIInChI=1S/C23H28N4O/c1-25-15-17-26(18-16-25)13-8-14-27-22(20-11-6-3-7-12-20)23(28)21(24-27)19-9-4-2-5-10-19/h2-7,9-12,28H,8,13-18H2,1H3
InChIKeyVUQOYBOFDNMYII-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.56
Rot. Bonds6

About 1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol

1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol (PubChem CID 15084038) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol
PubChem CID15084038
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol
SMILESCN1CCN(CCCn2nc(-c3ccccc3)c(O)c2-c2ccccc2)CC1
InChIInChI=1S/C23H28N4O/c1-25-15-17-26(18-16-25)13-8-14-27-22(20-11-6-3-7-12-20)23(28)21(24-27)19-9-4-2-5-10-19/h2-7,9-12,28H,8,13-18H2,1H3
InChIKeyVUQOYBOFDNMYII-UHFFFAOYSA-N
XLogP3.56
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol (CID 15084038) is 1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol is CN1CCN(CCCn2nc(-c3ccccc3)c(O)c2-c2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol?
The InChIKey is VUQOYBOFDNMYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-25-15-17-26(18-16-25)13-8-14-27-22(20-11-6-3-7-12-20)23(28)21(24-27)19-9-4-2-5-10-19/h2-7,9-12,28H,8,13-18H2,1H3.
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol?
1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol has a molecular weight of 376.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol is sourced from PubChem (CID 15084038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).