1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide

C28H30N6O — CID 60517142

IUPAC1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1
InChIInChI=1S/C28H30N6O/c1-21-8-10-23(11-9-21)27-25(20-34(31-27)19-22-6-4-3-5-7-22)28(35)30-26-13-12-24(18-29-26)33-16-14-32(2)15-17-33/h3-13,18,20H,14-17,19H2,1-2H3,(H,29,30,35)
InChIKeyAKIYNRDMDNLOCS-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.31
Rot. Bonds6

About 1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide

1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 60517142) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is 1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID60517142
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC Name1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1
InChIInChI=1S/C28H30N6O/c1-21-8-10-23(11-9-21)27-25(20-34(31-27)19-22-6-4-3-5-7-22)28(35)30-26-13-12-24(18-29-26)33-16-14-32(2)15-17-33/h3-13,18,20H,14-17,19H2,1-2H3,(H,29,30,35)
InChIKeyAKIYNRDMDNLOCS-UHFFFAOYSA-N
XLogP4.31
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 134009055
1-[(3-fluorophenyl)methyl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]triazole-4-carboxamide
CID 75468783
1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18225401
5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 172895620
[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55849958
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 120944204
[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574853
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide (CID 60517142) is 1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(N3CCN(C)CC3)cn2)cc1.
What is the InChIKey of 1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is AKIYNRDMDNLOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c1-21-8-10-23(11-9-21)27-25(20-34(31-27)19-22-6-4-3-5-7-22)28(35)30-26-13-12-24(18-29-26)33-16-14-32(2)15-17-33/h3-13,18,20H,14-17,19H2,1-2H3,(H,29,30,35).
What are the key properties of 1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide?
1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 60517142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).