4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile

C23H24N6O2 — CID 172861719

IUPAC4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile
SMILESCCN1CCN(C(=O)c2ccc(-n3cc(O)c(Cc4ccc(C#N)cc4)n3)nc2)CC1
InChIInChI=1S/C23H24N6O2/c1-2-27-9-11-28(12-10-27)23(31)19-7-8-22(25-15-19)29-16-21(30)20(26-29)13-17-3-5-18(14-24)6-4-17/h3-8,15-16,30H,2,9-13H2,1H3
InChIKeyZLBXWIUAVWUWCE-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.21
Rot. Bonds5

About 4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile

4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile (PubChem CID 172861719) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile
PubChem CID172861719
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile
SMILESCCN1CCN(C(=O)c2ccc(-n3cc(O)c(Cc4ccc(C#N)cc4)n3)nc2)CC1
InChIInChI=1S/C23H24N6O2/c1-2-27-9-11-28(12-10-27)23(31)19-7-8-22(25-15-19)29-16-21(30)20(26-29)13-17-3-5-18(14-24)6-4-17/h3-8,15-16,30H,2,9-13H2,1H3
InChIKeyZLBXWIUAVWUWCE-UHFFFAOYSA-N
XLogP2.21
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]-2,3-dimethylbenzonitrile
CID 172707077
4-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrazol-1-yl]benzonitrile
CID 3407693
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109154708
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
4-[[4-(4-ethylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 51331648
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 84570648
ethyl 6-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 38775271
4-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]benzonitrile
CID 15284673
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
3-[4-(4-cyanobenzoyl)piperazin-1-yl]propanoic acid
CID 43522193
4-[[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile
CID 17405678
4-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]ethyl]benzonitrile
CID 146107246

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile?
The IUPAC name of 4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile (CID 172861719) is 4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile is CCN1CCN(C(=O)c2ccc(-n3cc(O)c(Cc4ccc(C#N)cc4)n3)nc2)CC1.
What is the InChIKey of 4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile?
The InChIKey is ZLBXWIUAVWUWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-2-27-9-11-28(12-10-27)23(31)19-7-8-22(25-15-19)29-16-21(30)20(26-29)13-17-3-5-18(14-24)6-4-17/h3-8,15-16,30H,2,9-13H2,1H3.
What are the key properties of 4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile?
4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile has a molecular weight of 416.49 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[5-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxypyrazol-3-yl]methyl]benzonitrile is sourced from PubChem (CID 172861719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).