1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

C17H22N4O2 — CID 167761680

IUPAC1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(CCC(=O)N2CCN(c3ccc(O)cc3)CC2)c1
InChIInChI=1S/C17H22N4O2/c1-14-12-18-21(13-14)7-6-17(23)20-10-8-19(9-11-20)15-2-4-16(22)5-3-15/h2-5,12-13,22H,6-11H2,1H3
InChIKeyMKHNYGVDXJLHKZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.64
Rot. Bonds4

About 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 167761680) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID167761680
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(CCC(=O)N2CCN(c3ccc(O)cc3)CC2)c1
InChIInChI=1S/C17H22N4O2/c1-14-12-18-21(13-14)7-6-17(23)20-10-8-19(9-11-20)15-2-4-16(22)5-3-15/h2-5,12-13,22H,6-11H2,1H3
InChIKeyMKHNYGVDXJLHKZ-UHFFFAOYSA-N
XLogP1.64
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 56798114
1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 71986153
3-bromo-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 113385212
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 112763089
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 2423189
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 87040560
3-(4-methylpyrazol-1-yl)-1-(4-pent-2-ynyl-1,4-diazepan-1-yl)propan-1-one
CID 134696618
N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide
CID 71852909
4-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75415581
1-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56817622
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622537
1-[4-(2-amino-1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 135118389

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (CID 167761680) is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is Cc1cnn(CCC(=O)N2CCN(c3ccc(O)cc3)CC2)c1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is MKHNYGVDXJLHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14-12-18-21(13-14)7-6-17(23)20-10-8-19(9-11-20)15-2-4-16(22)5-3-15/h2-5,12-13,22H,6-11H2,1H3.
What are the key properties of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 314.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 167761680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).