2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide

C22H23N5O — CID 118560699

IUPAC2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide
SMILESCC(C)(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)cc1
InChIInChI=1S/C22H23N5O/c1-22(2,3)18-7-4-16(5-8-18)12-21(28)25-20-10-11-27(26-20)15-19-9-6-17(13-23)14-24-19/h4-11,14H,12,15H2,1-3H3,(H,25,26,28)
InChIKeyXZPYWTFDULVLJE-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.68
Rot. Bonds5

About 2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide

2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 118560699) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide
PubChem CID118560699
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide
SMILESCC(C)(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)cc1
InChIInChI=1S/C22H23N5O/c1-22(2,3)18-7-4-16(5-8-18)12-21(28)25-20-10-11-27(26-20)15-19-9-6-17(13-23)14-24-19/h4-11,14H,12,15H2,1-3H3,(H,25,26,28)
InChIKeyXZPYWTFDULVLJE-UHFFFAOYSA-N
XLogP3.68
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide (CID 118560699) is 2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide is CC(C)(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is XZPYWTFDULVLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-22(2,3)18-7-4-16(5-8-18)12-21(28)25-20-10-11-27(26-20)15-19-9-6-17(13-23)14-24-19/h4-11,14H,12,15H2,1-3H3,(H,25,26,28).
What are the key properties of 2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide?
2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 118560699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).