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

C21H23N5O — CID 9204822

IUPACN-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCN1CCN(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)
InChIKeyPPPODRKAXVRKNG-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.43
Rot. Bonds4

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

N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 9204822) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID9204822
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCN1CCN(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)
InChIKeyPPPODRKAXVRKNG-UHFFFAOYSA-N
XLogP2.43
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylpiperazin-4-ium-1-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 9204821
N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281316
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
3-(3-methylphenyl)-N-[(2S)-4-(4-methylpiperazin-1-yl)butan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 99785537
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
(2E)-2-[(1,3-diphenylpyrazole-4-carbonyl)hydrazinylidene]pentanedioic acid
CID 7859804
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide (CID 9204822) is N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide is CN1CCN(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is PPPODRKAXVRKNG-UHFFFAOYSA-N. 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).
What are the key properties of N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide?
N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 9204822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).