5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide

C21H24N5O+ — CID 7032134

IUPAC5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide
SMILESC[NH+]1CCN(c2ccc(-c3ccnn3C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C21H23N5O/c1-24-13-15-25(16-14-24)19-9-7-17(8-10-19)20-11-12-22-26(20)21(27)23-18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,23,27)/p+1
InChIKeySRZYDFRYSQQTCO-UHFFFAOYSA-O
MW362.46 g/mol
LogP1.97
Rot. Bonds3

About 5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide

5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide (PubChem CID 7032134) has the molecular formula C21H24N5O+ and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide
PubChem CID7032134
Molecular FormulaC21H24N5O+
Molecular Weight362.46 g/mol
Exact Mass362.20
IUPAC Name5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide
SMILESC[NH+]1CCN(c2ccc(-c3ccnn3C(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C21H23N5O/c1-24-13-15-25(16-14-24)19-9-7-17(8-10-19)20-11-12-22-26(20)21(27)23-18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,23,27)/p+1
InChIKeySRZYDFRYSQQTCO-UHFFFAOYSA-O
XLogP1.97
TPSA54.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
CID 4552721
phenyl N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamate
CID 7084930
5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyrazole-1-carboxamide
CID 2745590
3-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957194
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
3,4-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957323
N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylmethoxybenzamide
CID 7085466
4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 113111310
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6964895
4-methyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984675

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide?
The IUPAC name of 5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide (CID 7032134) is 5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide?
The canonical SMILES for 5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide is C[NH+]1CCN(c2ccc(-c3ccnn3C(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of 5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide?
The InChIKey is SRZYDFRYSQQTCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N5O/c1-24-13-15-25(16-14-24)19-9-7-17(8-10-19)20-11-12-22-26(20)21(27)23-18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,23,27)/p+1.
What are the key properties of 5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide?
5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-N-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 7032134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).