1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide

C26H32N6O2 — CID 26245753

IUPAC1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H32N6O2/c1-20-25(21(2)32(29-20)19-22-9-5-3-6-10-22)26(34)28-27-24(33)13-14-30-15-17-31(18-16-30)23-11-7-4-8-12-23/h3-12H,13-19H2,1-2H3,(H,27,33)(H,28,34)
InChIKeyMXNYSGKJGHZJDF-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.52
Rot. Bonds7

About 1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide

1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide (PubChem CID 26245753) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide
PubChem CID26245753
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H32N6O2/c1-20-25(21(2)32(29-20)19-22-9-5-3-6-10-22)26(34)28-27-24(33)13-14-30-15-17-31(18-16-30)23-11-7-4-8-12-23/h3-12H,13-19H2,1-2H3,(H,27,33)(H,28,34)
InChIKeyMXNYSGKJGHZJDF-UHFFFAOYSA-N
XLogP2.52
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide
CID 8968237
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
CID 2677075
3-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 24979593
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 24564882
2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 7551003
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 9041474
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
1-benzyl-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 86835892
1-benzyl-3,5-dimethyl-N'-(2-methylfuran-3-carbonyl)pyrazole-4-carbohydrazide
CID 7601278
N'-[3-(4-chlorophenyl)sulfanylpropanoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4541503
1-benzyl-3,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 56523307

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide?
The IUPAC name of 1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide (CID 26245753) is 1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide?
The canonical SMILES for 1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide?
The InChIKey is MXNYSGKJGHZJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-20-25(21(2)32(29-20)19-22-9-5-3-6-10-22)26(34)28-27-24(33)13-14-30-15-17-31(18-16-30)23-11-7-4-8-12-23/h3-12H,13-19H2,1-2H3,(H,27,33)(H,28,34).
What are the key properties of 1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide?
1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide has a molecular weight of 460.58 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 26245753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).