1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide

C28H31N7O — CID 91288145

IUPAC1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC(C)CN3CCN(c4ncccn4)CC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C28H31N7O/c1-21-9-11-24(12-10-21)35-26(23-7-4-3-5-8-23)19-25(32-35)27(36)31-22(2)20-33-15-17-34(18-16-33)28-29-13-6-14-30-28/h3-14,19,22H,15-18,20H2,1-2H3,(H,31,36)
InChIKeyZKJKUDYDEBWORO-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.58
Rot. Bonds7

About 1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide

1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide (PubChem CID 91288145) has the molecular formula C28H31N7O and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide
PubChem CID91288145
Molecular FormulaC28H31N7O
Molecular Weight481.60 g/mol
Exact Mass481.26
IUPAC Name1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC(C)CN3CCN(c4ncccn4)CC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C28H31N7O/c1-21-9-11-24(12-10-21)35-26(23-7-4-3-5-8-23)19-25(32-35)27(36)31-22(2)20-33-15-17-34(18-16-33)28-29-13-6-14-30-28/h3-14,19,22H,15-18,20H2,1-2H3,(H,31,36)
InChIKeyZKJKUDYDEBWORO-UHFFFAOYSA-N
XLogP3.58
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-chlorophenyl)-1-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide
CID 69178937
2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide
CID 46230579
4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 91616759
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
4-oxo-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-5-(thiophen-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 69178777
1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide
CID 23992415
5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide
CID 57222827
1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 82215753
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188874
1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 53006265

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide (CID 91288145) is 1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NC(C)CN3CCN(c4ncccn4)CC3)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide?
The InChIKey is ZKJKUDYDEBWORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O/c1-21-9-11-24(12-10-21)35-26(23-7-4-3-5-8-23)19-25(32-35)27(36)31-22(2)20-33-15-17-34(18-16-33)28-29-13-6-14-30-28/h3-14,19,22H,15-18,20H2,1-2H3,(H,31,36).
What are the key properties of 1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide?
1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 91288145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).