(1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

C22H24N4O2 — CID 86991026

IUPAC(1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3ccccc3O)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C22H24N4O2/c1-17-19(15-23-26(17)16-18-7-3-2-4-8-18)22(28)25-13-11-24(12-14-25)20-9-5-6-10-21(20)27/h2-10,15,27H,11-14,16H2,1H3
InChIKeyCZRHBKUWXUTXBZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.91
Rot. Bonds4

About (1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

(1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 86991026) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID86991026
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3ccccc3O)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C22H24N4O2/c1-17-19(15-23-26(17)16-18-7-3-2-4-8-18)22(28)25-13-11-24(12-14-25)20-9-5-6-10-21(20)27/h2-10,15,27H,11-14,16H2,1H3
InChIKeyCZRHBKUWXUTXBZ-UHFFFAOYSA-N
XLogP2.91
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide
CID 86969204
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112823868
(1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563358
1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118733
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 31901098
(1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 75440738
(1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023082
[4-(2-chlorophenyl)piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 51309762
[3-(1-aminoethyl)piperidin-1-yl]-(1-benzyl-5-methylpyrazol-4-yl)methanone
CID 119596149
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46422149
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 86991026) is (1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(c3ccccc3O)CC2)cnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is CZRHBKUWXUTXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17-19(15-23-26(17)16-18-7-3-2-4-8-18)22(28)25-13-11-24(12-14-25)20-9-5-6-10-21(20)27/h2-10,15,27H,11-14,16H2,1H3.
What are the key properties of (1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
(1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86991026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).