5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide

C23H27N5O2 — CID 46456405

IUPAC5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)NCc3ccc(NC(=O)NC(C)C)cc3)c2C)c1
InChIInChI=1S/C23H27N5O2/c1-15(2)26-23(30)27-19-10-8-18(9-11-19)13-24-22(29)21-14-25-28(17(21)4)20-7-5-6-16(3)12-20/h5-12,14-15H,13H2,1-4H3,(H,24,29)(H2,26,27,30)
InChIKeyNIEISGPUOSKDPL-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.95
Rot. Bonds6

About 5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide

5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 46456405) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID46456405
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)NCc3ccc(NC(=O)NC(C)C)cc3)c2C)c1
InChIInChI=1S/C23H27N5O2/c1-15(2)26-23(30)27-19-10-8-18(9-11-19)13-24-22(29)21-14-25-28(17(21)4)20-7-5-6-16(3)12-20/h5-12,14-15H,13H2,1-4H3,(H,24,29)(H2,26,27,30)
InChIKeyNIEISGPUOSKDPL-UHFFFAOYSA-N
XLogP3.95
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36747874
1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 46456579
N-[[4-(butanoylamino)phenyl]methyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 55781798
1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzimidazole-5-carboxamide
CID 154851573
5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25343532
2-phenyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]triazole-4-carboxamide
CID 46456875
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
CID 46549741
1,3,6-trimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46456457
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36746441
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 3827367
1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 86986258

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide (CID 46456405) is 5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide is Cc1cccc(-n2ncc(C(=O)NCc3ccc(NC(=O)NC(C)C)cc3)c2C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is NIEISGPUOSKDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15(2)26-23(30)27-19-10-8-18(9-11-19)13-24-22(29)21-14-25-28(17(21)4)20-7-5-6-16(3)12-20/h5-12,14-15H,13H2,1-4H3,(H,24,29)(H2,26,27,30).
What are the key properties of 5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide?
5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46456405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).