4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

C21H25N7O — CID 55930394

IUPAC4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCc1cnn(-c2ccc(C(=O)NCCN3CCN(c4ncccn4)CC3)cc2)c1
InChIInChI=1S/C21H25N7O/c1-17-15-25-28(16-17)19-5-3-18(4-6-19)20(29)22-9-10-26-11-13-27(14-12-26)21-23-7-2-8-24-21/h2-8,15-16H,9-14H2,1H3,(H,22,29)
InChIKeyGLVNOXXSCDFHQI-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.52
Rot. Bonds6

About 4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 55930394) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID55930394
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCc1cnn(-c2ccc(C(=O)NCCN3CCN(c4ncccn4)CC3)cc2)c1
InChIInChI=1S/C21H25N7O/c1-17-15-25-28(16-17)19-5-3-18(4-6-19)20(29)22-9-10-26-11-13-27(14-12-26)21-23-7-2-8-24-21/h2-8,15-16H,9-14H2,1H3,(H,22,29)
InChIKeyGLVNOXXSCDFHQI-UHFFFAOYSA-N
XLogP1.52
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 119619945
1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 70710374
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
4-(5-methylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602275
N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55933838
3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide
CID 118761818
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 31413320
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 39302351
4-(4-bromopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 35993710
2-amino-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide;trihydrochloride
CID 119947504
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39541337
3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 55933192

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide (CID 55930394) is 4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide is Cc1cnn(-c2ccc(C(=O)NCCN3CCN(c4ncccn4)CC3)cc2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is GLVNOXXSCDFHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-17-15-25-28(16-17)19-5-3-18(4-6-19)20(29)22-9-10-26-11-13-27(14-12-26)21-23-7-2-8-24-21/h2-8,15-16H,9-14H2,1H3,(H,22,29).
What are the key properties of 4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide?
4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 55930394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).