4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide

C23H25N5O2 — CID 86969204

IUPAC4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide
SMILESCc1c(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C23H25N5O2/c1-17-21(15-25-28(17)16-18-5-3-2-4-6-18)23(30)27-13-11-26(12-14-27)20-9-7-19(8-10-20)22(24)29/h2-10,15H,11-14,16H2,1H3,(H2,24,29)
InChIKeyVAWCRPQDLAIKNM-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.30
Rot. Bonds5

About 4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide

4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide (PubChem CID 86969204) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide
PubChem CID86969204
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide
SMILESCc1c(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C23H25N5O2/c1-17-21(15-25-28(17)16-18-5-3-2-4-6-18)23(30)27-13-11-26(12-14-27)20-9-7-19(8-10-20)22(24)29/h2-10,15H,11-14,16H2,1H3,(H2,24,29)
InChIKeyVAWCRPQDLAIKNM-UHFFFAOYSA-N
XLogP2.30
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 86991026
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78873933
1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 72849446
(1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563358
4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide
CID 86969115
1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118733
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 78873065
(1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023082
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602016
benzyl 1-(1-benzyl-5-methylpyrazole-4-carbonyl)azetidine-3-carboxylate
CID 75450681
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112823868

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide (CID 86969204) is 4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide is Cc1c(C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cnn1Cc1ccccc1.
What is the InChIKey of 4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide?
The InChIKey is VAWCRPQDLAIKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-17-21(15-25-28(17)16-18-5-3-2-4-6-18)23(30)27-13-11-26(12-14-27)20-9-7-19(8-10-20)22(24)29/h2-10,15H,11-14,16H2,1H3,(H2,24,29).
What are the key properties of 4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide?
4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide has a molecular weight of 403.49 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 86969204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).