4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide

C23H25N5O2 — CID 112842395

IUPAC4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide
SMILESCc1cc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C23H25N5O2/c1-17-15-21(25-28(17)20-5-3-2-4-6-20)23(30)27-13-11-26(12-14-27)16-18-7-9-19(10-8-18)22(24)29/h2-10,15H,11-14,16H2,1H3,(H2,24,29)
InChIKeyIXCVNYHQEITDMZ-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.24
Rot. Bonds5

About 4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide

4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide (PubChem CID 112842395) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide
PubChem CID112842395
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide
SMILESCc1cc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)nn1-c1ccccc1
InChIInChI=1S/C23H25N5O2/c1-17-15-21(25-28(17)20-5-3-2-4-6-20)23(30)27-13-11-26(12-14-27)16-18-7-9-19(10-8-18)22(24)29/h2-10,15H,11-14,16H2,1H3,(H2,24,29)
InChIKeyIXCVNYHQEITDMZ-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
CID 51998908
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55759044
(5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55790775
5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 55780170
(4-benzylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 42880815
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119518631
ethyl 4-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110373026
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
[2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 55762009
4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide
CID 112827519
N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
CID 51998715

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide (CID 112842395) is 4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide is Cc1cc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)nn1-c1ccccc1.
What is the InChIKey of 4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is IXCVNYHQEITDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-17-15-21(25-28(17)20-5-3-2-4-6-20)23(30)27-13-11-26(12-14-27)16-18-7-9-19(10-8-18)22(24)29/h2-10,15H,11-14,16H2,1H3,(H2,24,29).
What are the key properties of 4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide?
4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 403.49 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 112842395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).