N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide

C21H24N5O+ — CID 9204821

IUPACN-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide
SMILESC[NH+]1CCN(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C21H23N5O/c1-24-12-14-25(15-13-24)23-21(27)19-16-26(18-10-6-3-7-11-18)22-20(19)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,23,27)/p+1
InChIKeyPPPODRKAXVRKNG-UHFFFAOYSA-O
MW362.46 g/mol
LogP1.01
Rot. Bonds4

About N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide

N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 9204821) has the molecular formula C21H24N5O+ and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID9204821
Molecular FormulaC21H24N5O+
Molecular Weight362.46 g/mol
Exact Mass362.20
IUPAC NameN-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide
SMILESC[NH+]1CCN(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C21H23N5O/c1-24-12-14-25(15-13-24)23-21(27)19-16-26(18-10-6-3-7-11-18)22-20(19)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,23,27)/p+1
InChIKeyPPPODRKAXVRKNG-UHFFFAOYSA-O
XLogP1.01
TPSA54.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 9204822
N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 2475126
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
3-(4-fluorophenyl)-N',N'-dimethyl-1-phenylpyrazole-4-carbohydrazide
CID 9163796
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
(2E)-2-[(1,3-diphenylpyrazole-4-carbonyl)hydrazinylidene]pentanedioic acid
CID 7859804
N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
CID 24650106
N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide (CID 9204821) is N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide is C[NH+]1CCN(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is PPPODRKAXVRKNG-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N5O/c1-24-12-14-25(15-13-24)23-21(27)19-16-26(18-10-6-3-7-11-18)22-20(19)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,23,27)/p+1.
What are the key properties of N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide?
N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 9204821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).