4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide

C25H23N5O2 — CID 46334780

IUPAC4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C25H23N5O2/c1-17-23(19-8-4-3-5-9-19)24(28-18(2)31)30(29-17)22-13-11-20(12-14-22)25(32)27-16-21-10-6-7-15-26-21/h3-15H,16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyDWEDRBIZBRXGQV-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.13
Rot. Bonds6

About 4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide

4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 46334780) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID46334780
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C25H23N5O2/c1-17-23(19-8-4-3-5-9-19)24(28-18(2)31)30(29-17)22-13-11-20(12-14-22)25(32)27-16-21-10-6-7-15-26-21/h3-15H,16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyDWEDRBIZBRXGQV-UHFFFAOYSA-N
XLogP4.13
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-benzylbenzamide
CID 46334888
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-pyridin-2-ylbenzamide
CID 46334892
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 46334859
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-phenylbenzamide
CID 46334913
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid
CID 163327768
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92873032
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide
CID 46334908
3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide
CID 18107560
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide (CID 46334780) is 4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide is CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is DWEDRBIZBRXGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-17-23(19-8-4-3-5-9-19)24(28-18(2)31)30(29-17)22-13-11-20(12-14-22)25(32)27-16-21-10-6-7-15-26-21/h3-15H,16H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide?
4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 425.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 46334780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).